2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid

C14H17ClO2 — CID 106870913

IUPAC2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(CC2CCCC2C(=O)O)c(Cl)c1
InChIInChI=1S/C14H17ClO2/c1-9-5-6-11(13(15)7-9)8-10-3-2-4-12(10)14(16)17/h5-7,10,12H,2-4,8H2,1H3,(H,16,17)
InChIKeyXLIMMJJVXSPVKP-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.69
Rot. Bonds3

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

2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 106870913) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid
PubChem CID106870913
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(CC2CCCC2C(=O)O)c(Cl)c1
InChIInChI=1S/C14H17ClO2/c1-9-5-6-11(13(15)7-9)8-10-3-2-4-12(10)14(16)17/h5-7,10,12H,2-4,8H2,1H3,(H,16,17)
InChIKeyXLIMMJJVXSPVKP-UHFFFAOYSA-N
XLogP3.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 106870915
2-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 106870919
2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81008869
[2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine
CID 106870924
2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 114862572
3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol
CID 106870221
2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 106869160
2-[(3-chloro-4-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 103042286
2-[(3,5-dimethylphenyl)methyl]cycloheptane-1-carboxylic acid
CID 81009445
1-[(2-chloro-4-methylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106865365
2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 81008089
N-[[2-[(2-chloro-4-methylphenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 106870972

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid (CID 106870913) is 2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid is Cc1ccc(CC2CCCC2C(=O)O)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is XLIMMJJVXSPVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-9-5-6-11(13(15)7-9)8-10-3-2-4-12(10)14(16)17/h5-7,10,12H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid?
2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 252.74 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106870913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).