3-[2-(2-chloro-4-hydroxyphenyl)cyclopropyl]benzoic acid

C16H13ClO3 — CID 77424580

IUPAC3-[2-(2-chloro-4-hydroxyphenyl)cyclopropyl]benzoic acid
SMILESO=C(O)c1cccc(C2CC2c2ccc(O)cc2Cl)c1
InChIInChI=1S/C16H13ClO3/c17-15-7-11(18)4-5-12(15)14-8-13(14)9-2-1-3-10(6-9)16(19)20/h1-7,13-14,18H,8H2,(H,19,20)
InChIKeyCQPCOVHQAPMYLX-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.01
Rot. Bonds3

About 3-[2-(2-chloro-4-hydroxyphenyl)cyclopropyl]benzoic acid

3-[2-(2-chloro-4-hydroxyphenyl)cyclopropyl]benzoic acid (PubChem CID 77424580) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is 3-[2-(2-chloro-4-hydroxyphenyl)cyclopropyl]benzoic acid.

Molecular Properties

Compound Name3-[2-(2-chloro-4-hydroxyphenyl)cyclopropyl]benzoic acid
PubChem CID77424580
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name3-[2-(2-chloro-4-hydroxyphenyl)cyclopropyl]benzoic acid
SMILESO=C(O)c1cccc(C2CC2c2ccc(O)cc2Cl)c1
InChIInChI=1S/C16H13ClO3/c17-15-7-11(18)4-5-12(15)14-8-13(14)9-2-1-3-10(6-9)16(19)20/h1-7,13-14,18H,8H2,(H,19,20)
InChIKeyCQPCOVHQAPMYLX-UHFFFAOYSA-N
XLogP4.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxycyclopropyl)benzoic acid
CID 115015082
3-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]benzoic acid
CID 167436342
CID 159670001
CID 159670001
3-(2-phenylcyclopropyl)benzamide
CID 144684573
3-[2-[2-chloro-4-[[5-cyclopropyl-3-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid
CID 50942930
3-[(1R,2S)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid;3-[(1S,2S)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid;3-[(1R,2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid;3-[(1S,2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid;3-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid;3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid
CID 159667479
CID 66671873
CID 66671873
CID 174830791
CID 174830791
3-hydroxybenzoic acid;hydrochloride
CID 118389750
4-[(1R,2S)-2-phenylcyclopropyl]benzoic acid
CID 138543180
3-[(3R,4S)-3-(trifluoromethyl)piperidin-4-yl]benzoic acid
CID 58617146
3-(2,2-dimethylcyclopropyl)benzoic acid
CID 68730456

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloro-4-hydroxyphenyl)cyclopropyl]benzoic acid?
The IUPAC name of 3-[2-(2-chloro-4-hydroxyphenyl)cyclopropyl]benzoic acid (CID 77424580) is 3-[2-(2-chloro-4-hydroxyphenyl)cyclopropyl]benzoic acid.
What is the SMILES notation for 3-[2-(2-chloro-4-hydroxyphenyl)cyclopropyl]benzoic acid?
The canonical SMILES for 3-[2-(2-chloro-4-hydroxyphenyl)cyclopropyl]benzoic acid is O=C(O)c1cccc(C2CC2c2ccc(O)cc2Cl)c1.
What is the InChIKey of 3-[2-(2-chloro-4-hydroxyphenyl)cyclopropyl]benzoic acid?
The InChIKey is CQPCOVHQAPMYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c17-15-7-11(18)4-5-12(15)14-8-13(14)9-2-1-3-10(6-9)16(19)20/h1-7,13-14,18H,8H2,(H,19,20).
What are the key properties of 3-[2-(2-chloro-4-hydroxyphenyl)cyclopropyl]benzoic acid?
3-[2-(2-chloro-4-hydroxyphenyl)cyclopropyl]benzoic acid has a molecular weight of 288.73 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloro-4-hydroxyphenyl)cyclopropyl]benzoic acid is sourced from PubChem (CID 77424580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).