1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid

C17H24O2 — CID 117405474

IUPAC1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)Cc1ccc(C2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C17H24O2/c1-16(2,3)12-13-6-8-14(9-7-13)17(15(18)19)10-4-5-11-17/h6-9H,4-5,10-12H2,1-3H3,(H,18,19)
InChIKeyAOPLTOGPCDMSQT-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.17
Rot. Bonds3

About 1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid

1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117405474) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117405474
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)Cc1ccc(C2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C17H24O2/c1-16(2,3)12-13-6-8-14(9-7-13)17(15(18)19)10-4-5-11-17/h6-9H,4-5,10-12H2,1-3H3,(H,18,19)
InChIKeyAOPLTOGPCDMSQT-UHFFFAOYSA-N
XLogP4.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid
CID 117410597
1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid
CID 117113991
1-[4-(2-methylsulfonylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117114132
1-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117489779
1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117485692
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-[4-(diethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 117408044
1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117463972
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
1-[4-(2-methylsulfonylpropan-2-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117114286
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid
CID 117440769

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid (CID 117405474) is 1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid is CC(C)(C)Cc1ccc(C2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is AOPLTOGPCDMSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-16(2,3)12-13-6-8-14(9-7-13)17(15(18)19)10-4-5-11-17/h6-9H,4-5,10-12H2,1-3H3,(H,18,19).
What are the key properties of 1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid?
1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 260.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117405474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).