3-(2-methylphenyl)cyclopentane-1-carboxylic acid

C13H16O2 — CID 82282775

IUPAC3-(2-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1ccccc1C1CCC(C(=O)O)C1
InChIInChI=1S/C13H16O2/c1-9-4-2-3-5-12(9)10-6-7-11(8-10)13(14)15/h2-5,10-11H,6-8H2,1H3,(H,14,15)
InChIKeyWZODQPSQYZWHCA-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.96
Rot. Bonds2

About 3-(2-methylphenyl)cyclopentane-1-carboxylic acid

3-(2-methylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 82282775) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(2-methylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylphenyl)cyclopentane-1-carboxylic acid
PubChem CID82282775
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name3-(2-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1ccccc1C1CCC(C(=O)O)C1
InChIInChI=1S/C13H16O2/c1-9-4-2-3-5-12(9)10-6-7-11(8-10)13(14)15/h2-5,10-11H,6-8H2,1H3,(H,14,15)
InChIKeyWZODQPSQYZWHCA-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2-methylphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975828
trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid
CID 95438610
3-(2-bromophenyl)cyclohexane-1-carboxylic acid
CID 115052012
4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
CID 18597617
3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 70005895
trans-(1R,2R)-2-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129467421
(2S,4R)-4-(2-methylphenyl)pyrrolidine-1,2-dicarboxylic acid
CID 170165254
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551979
3-(2-methylphenyl)cyclohexan-1-ol
CID 64513685
3-(2-methylphenyl)cyclobutan-1-ol
CID 60792741
2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021069

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2-methylphenyl)cyclopentane-1-carboxylic acid (CID 82282775) is 3-(2-methylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2-methylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2-methylphenyl)cyclopentane-1-carboxylic acid is Cc1ccccc1C1CCC(C(=O)O)C1.
What is the InChIKey of 3-(2-methylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is WZODQPSQYZWHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-4-2-3-5-12(9)10-6-7-11(8-10)13(14)15/h2-5,10-11H,6-8H2,1H3,(H,14,15).
What are the key properties of 3-(2-methylphenyl)cyclopentane-1-carboxylic acid?
3-(2-methylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 204.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82282775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).