OpenMolDB

4-Bromocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
227.05	2	1	2.55				nt0108	None		Not checked

SMILES: OC(=O)C=Cc1ccc(Br)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Bromocinnamic acid]	4.09			25.0		Kenneth A. Connors 1995

4-Bromocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
227.05	2	1	2.55				nt1028	None		Not checked

SMILES: OC(=O)C=Cc1ccc(Br)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Bromocinnamic acid]	3.10			25.0		Kenneth A. Connors 1995

4-Bromocinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
226.05	1	0	1.21				nt0109	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Bromocinnamic acid anion]	2.76			25.0		Kenneth A. Connors 1995

4-Bromocinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
226.05	1	0	1.21				nt1029	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Bromocinnamic acid anion]	3.05			25.0		Kenneth A. Connors 1995

4-Bromofluorobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
175.00	0	0	2.59				nt0111	None		Not checked

SMILES: Fc1ccc(Br)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Bromofluorobenzene]	2.40			25.0		Kenneth A. Connors 1995

4-Bromofluorobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
175.00	0	0	2.59				nt1031	None		Not checked

SMILES: Fc1ccc(Br)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Bromofluorobenzene]	2.26			25.0		Kenneth A. Connors 1995

4-Bromophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
173.01	1	1	2.15				nt0112	None		Not checked

SMILES: Oc1ccc(Br)cc1

Supramolecules

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

4-Bromophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
173.01	1	1	2.15				nt0113	None		Not checked

SMILES: Oc1ccc(Br)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Bromophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
173.01	1	1	2.15				nt1035	None		Not checked

SMILES: Oc1ccc(Br)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Bromophenol]	2.93			25.0		Kenneth A. Connors 1995

4-Bromophenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
174.02	1	1	1.39				nt0114	None		Not checked

SMILES: BrC1=CCC(O)[C-]=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Bromophenol anion]	3.09			25.0		Kenneth A. Connors 1995

4-C2H5-Phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C652	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-C2H5-Phenol]	2.76		6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2003

4-CH2COOH-phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C736	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-CH2COOH-phenol]	1.98		5.8	20.0	UV-vis spectroscopy; spectral displacement method	D. Landy 2000

4-CH2OH-phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C735	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-CH2OH-phenol]	2.04		5.8	20.0	UV-vis spectroscopy; spectral displacement method	D. Landy 2000

4-CH3(CH2)4-phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C670	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(CH2)4-phenol]	2.10	0.78	6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2005
[6-O-a-D-glucosyl-b-CD](1).[4-CH3(CH2)4-phenol]	3.82	1.85	6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2006

4-CH3(CH2)5-phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C671	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(CH2)5-phenol]	2.37	0.78	6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2005
[6-O-a-D-glucosyl-b-CD](1).[4-CH3(CH2)5-phenol]	3.98	1.95	6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2006