OpenMolDB

4-Iodophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
220.01	1	1	2.00				nt0488	None		Not checked

SMILES: Oc1ccc(I)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Iodophenol]	3.36			25.0		Kenneth A. Connors 1995

4-Iodophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
220.01	1	1	2.00				nt0489	None		Not checked

SMILES: Oc1ccc(I)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Me-PBNOH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C173	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-Me-PBNOH]	1.81	0.60		27.0	NMR	Jean-Pierre Finet, Paul Tordo 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[4-Me-PBNOH]	2.07	1.00		27.0	NMR	Jean-Pierre Finet, Paul Tordo 2005

4-Me-PBNOH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_391	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Me-PBNOH]	1.99				NMR spectroscopy	Paul Tordo 2004

4-MeO-PBNOH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_392	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-MeO-PBNOH]	2.17				NMR spectroscopy	Paul Tordo 2004

4-Methoxyaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
123.15	2	1	1.86				nt0513	None		Not checked

SMILES: COc1ccc(N)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Methoxyaniline]	0.83			25.0		Kenneth A. Connors 1995

4-Methoxybenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.15	3	1	1.39				nt0520	None		Not checked

SMILES: COc1ccc(cc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Methoxybenzoic acid]	2.95			25.0		Kenneth A. Connors 1995

4-Methoxybenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.15	3	1	1.39				nt0521	None		Not checked

SMILES: COc1ccc(cc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Methoxybenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.15	3	1	1.39				nt0522	None		Not checked

SMILES: COc1ccc(cc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Methoxybenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
151.14	2	0	0.06				nt0523	None		Not checked

SMILES: O=C([O-])C1=CC=C(OC)C=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Methoxybenzoic acid anion]	0.54			25.0		Kenneth A. Connors 1995

4-Methoxybenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
151.14	2	0	0.06				nt0524	None		Not checked

SMILES: O=C([O-])C1=CC=C(OC)C=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Methoxycinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
178.18	3	1	1.79				nt0528	None		Not checked

SMILES: COc1ccc(C=CC(O)=O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Methoxycinnamic acid]	4.01			25.0		Kenneth A. Connors 1995

4-Methoxycinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
178.18	3	1	1.79				nt1458	None		Not checked

SMILES: COc1ccc(C=CC(O)=O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Methoxycinnamic acid]	2.82			25.0		Kenneth A. Connors 1995

4-Methoxycinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
177.18	2	0	0.46				nt0529	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Methoxycinnamic acid anion]	2.44			25.0		Kenneth A. Connors 1995

4-Methoxycinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
177.18	2	0	0.46				nt1459	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Methoxycinnamic acid anion]	2.53			25.0		Kenneth A. Connors 1995