1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid

C14H17ClO3 — CID 117425482

IUPAC1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CCCCC2)c(Cl)c1O
InChIInChI=1S/C14H17ClO3/c1-9-5-6-10(11(15)12(9)16)14(13(17)18)7-3-2-4-8-14/h5-6,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyJLCRARTZGYSPCR-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.64
Rot. Bonds2

About 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid

1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117425482) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117425482
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CCCCC2)c(Cl)c1O
InChIInChI=1S/C14H17ClO3/c1-9-5-6-10(11(15)12(9)16)14(13(17)18)7-3-2-4-8-14/h5-6,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyJLCRARTZGYSPCR-UHFFFAOYSA-N
XLogP3.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117325926
1-(4-chloro-2,3-dihydroxyphenyl)cyclopentane-1-carboxylic acid
CID 117394993
1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344788
1-(3-fluoro-2-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299936
1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117420844
1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid
CID 117349897
1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117458268
1-(2-chloro-3,6-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 84799391
1-(4-chloro-2-hydroxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117394988
1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117344962
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117454530
1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid (CID 117425482) is 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid is Cc1ccc(C2(C(=O)O)CCCCC2)c(Cl)c1O.
What is the InChIKey of 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is JLCRARTZGYSPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-9-5-6-10(11(15)12(9)16)14(13(17)18)7-3-2-4-8-14/h5-6,16H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid?
1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 268.74 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117425482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).