1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid

C14H17BrO2 — CID 117478644

IUPAC1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1ccc(Br)c(C2(C(=O)O)CCCC2)c1C
InChIInChI=1S/C14H17BrO2/c1-9-5-6-11(15)12(10(9)2)14(13(16)17)7-3-4-8-14/h5-6H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyJRRFHWWILXDDCU-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.96
Rot. Bonds2

About 1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid

1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117478644) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117478644
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1ccc(Br)c(C2(C(=O)O)CCCC2)c1C
InChIInChI=1S/C14H17BrO2/c1-9-5-6-11(15)12(10(9)2)14(13(16)17)7-3-4-8-14/h5-6H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyJRRFHWWILXDDCU-UHFFFAOYSA-N
XLogP3.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(6-bromo-2,3-dimethylphenyl)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-(6-bromo-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117498418
1-(6-bromo-2,3-dihydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117462709
1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine
CID 117423884
1-(2-chloro-3,6-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 84799391
1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid
CID 82285493
1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid
CID 117467914
1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117462781
1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117415227
1-(5-bromo-2-hydroxy-3,4,6-trimethylphenyl)cyclohexane-1-carboxylic acid
CID 117114036
1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
CID 117336685
1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117469275
1-(2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446124

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid (CID 117478644) is 1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid is Cc1ccc(Br)c(C2(C(=O)O)CCCC2)c1C.
What is the InChIKey of 1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is JRRFHWWILXDDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c1-9-5-6-11(15)12(10(9)2)14(13(16)17)7-3-4-8-14/h5-6H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid?
1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 297.19 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117478644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).