2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid

C14H17ClO2 — CID 68974773

IUPAC2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid
SMILESCC(C(=O)O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C14H17ClO2/c1-10(13(16)17)14(8-2-3-9-14)11-4-6-12(15)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyWNGRTNDHHVVSLP-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.87
Rot. Bonds3

About 2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid

2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid (PubChem CID 68974773) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid
PubChem CID68974773
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid
SMILESCC(C(=O)O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C14H17ClO2/c1-10(13(16)17)14(8-2-3-9-14)11-4-6-12(15)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyWNGRTNDHHVVSLP-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-chlorophenyl)cyclopentyl]ethanamine
CID 83691849
1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;2,3-dihydroxybutanedioic acid
CID 25174320
2-[4-[1-(4-chlorophenyl)cyclohexyl]phenoxy]propanoic acid;ethane
CID 143461733
1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one
CID 19823745
1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene
CID 84728475
bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969
(1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride
CID 139996809
(Z)-but-2-enedioic acid;(E)-but-2-enedioic acid;bis(1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine)
CID 68752103
2-bromo-2-[1-(4-chlorophenyl)cyclopentyl]acetaldehyde
CID 87523135
2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid
CID 13083372
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane
CID 142145945

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid (CID 68974773) is 2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid is CC(C(=O)O)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid?
The InChIKey is WNGRTNDHHVVSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-10(13(16)17)14(8-2-3-9-14)11-4-6-12(15)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid?
2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid has a molecular weight of 252.74 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid is sourced from PubChem (CID 68974773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).