OpenMolDB

4-CH3-Phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C653	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-CH3-Phenol]	2.80		6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2003
[g-Cyclodextrin](0.5).[4-CH3-Phenol]	6.34		6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2003

4-CH3-Phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C667	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[4-CH3-Phenol]	2.64	0.70	6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2005
[6-O-a-D-glucosyl-b-CD](1).[4-CH3-Phenol]	2.66	0.48	6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2006

4-CH3O-Phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C647	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-CH3O-Phenol]	2.30		6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2003
[g-Cyclodextrin](0.5).[4-CH3O-Phenol]	4.15		6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2003

4-CHO-phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C734	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-CHO-phenol]	2.30		5.8	20.0	UV-vis spectroscopy; spectral displacement method	D. Landy 2000

4-CN-phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C729	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-CN-phenol]	2.30		5.8	20.0	UV-vis spectroscopy; spectral displacement method	D. Landy 2000
[b-Cyclodextrin](1).[4-CN-phenol]	2.29	0.90	5.8	20.0	UV-vis spectroscopy	D. Landy 2000
[b-Cyclodextrin](1).[4-CN-phenol]	2.26	1.48	7.0	20.0	NMR spectroscopy	D. Landy 2000

4-Carboxy-2-nitrophenyl acetate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
224.15	4	1	0.11				nt0154	None		Not checked

SMILES: O=C([O-])CC1=CC=C(C(O)=O)C=C1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Carboxy-2-nitrophenyl acetate anion]	2.05			25.0		Kenneth A. Connors 1995

4-Carboxy-2-nitrophenyl acetate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
224.15	4	1	0.11				nt1056	None		Not checked

SMILES: O=C([O-])CC1=CC=C(C(O)=O)C=C1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Carboxy-2-nitrophenyl acetate anion]	2.23			25.0		Kenneth A. Connors 1995

4-Carboxy-2-nitrophenyl butanoate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
252.20	4	1	0.89				nt0155	None		Not checked

SMILES: O=C([O-])CCCC1=CC=C(C(O)=O)C=C1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Carboxy-2-nitrophenyl butanoate anion]	2.11			25.0		Kenneth A. Connors 1995

4-Carboxy-2-nitrophenyl butanoate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
252.20	4	1	0.89				nt1057	None		Not checked

SMILES: O=C([O-])CCCC1=CC=C(C(O)=O)C=C1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Carboxy-2-nitrophenyl butanoate anion]	2.82			25.0		Kenneth A. Connors 1995

4-Carboxy-2-nitrophenyl heptanoate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
294.28	4	1	2.06				nt0156	None		Not checked

SMILES: O=C([O-])CCCCCCC1=CC=C(C(O)=O)C=C1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Carboxy-2-nitrophenyl heptanoate anion]	2.96			25.0		Kenneth A. Connors 1995

4-Carboxy-2-nitrophenyl heptanoate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
294.28	4	1	2.06				nt1058	None		Not checked

SMILES: O=C([O-])CCCCCCC1=CC=C(C(O)=O)C=C1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Carboxy-2-nitrophenyl heptanoate anion]	3.57			25.0		Kenneth A. Connors 1995

4-Carboxy-2-nitrophenyl hexanoate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
280.25	4	1	1.67				nt0157	None		Not checked

SMILES: O=C([O-])CCCCCC1=CC=C(C(O)=O)C=C1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Carboxy-2-nitrophenyl hexanoate anion]	2.85			25.0		Kenneth A. Connors 1995

4-Carboxy-2-nitrophenyl hexanoate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
280.25	4	1	1.67				nt1059	None		Not checked

SMILES: O=C([O-])CCCCCC1=CC=C(C(O)=O)C=C1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Carboxy-2-nitrophenyl hexanoate anion]	3.42			25.0		Kenneth A. Connors 1995

4-Carboxy-2-nitrophenyl octanoate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
308.31	4	1	2.45				nt0158	None		Not checked

SMILES: O=C([O-])CCCCCCCC1=CC=C(C(O)=O)C=C1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Carboxy-2-nitrophenyl octanoate anion]	3.30			25.0		Kenneth A. Connors 1995

4-Carboxy-2-nitrophenyl octanoate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
308.31	4	1	2.45				nt1060	None		Not checked

SMILES: O=C([O-])CCCCCCCC1=CC=C(C(O)=O)C=C1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Carboxy-2-nitrophenyl octanoate anion]	3.10			25.0		Kenneth A. Connors 1995