1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid

C13H15ClO2 — CID 117349897

IUPAC1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CCCC2)c(Cl)c1
InChIInChI=1S/C13H15ClO2/c1-9-4-5-10(11(14)8-9)13(12(15)16)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyMPCUNLMZBYXAEX-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.54
Rot. Bonds2

About 1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid

1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117349897) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117349897
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CCCC2)c(Cl)c1
InChIInChI=1S/C13H15ClO2/c1-9-4-5-10(11(14)8-9)13(12(15)16)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyMPCUNLMZBYXAEX-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 82609045
1-(3-chloro-2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454417
1-(2,5-dichloro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466952
1-(5-chloro-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454399
1-(4-chloro-2,3-dihydroxyphenyl)cyclopentane-1-carboxylic acid
CID 117394993
1-(5-chloro-2,3-dimethoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117497845
1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117425482
1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid
CID 117463982
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117420844
1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344788
1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid
CID 117471253

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid (CID 117349897) is 1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid is Cc1ccc(C2(C(=O)O)CCCC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is MPCUNLMZBYXAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-9-4-5-10(11(14)8-9)13(12(15)16)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid?
1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 238.71 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117349897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).