1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid

C15H20O2 — CID 79679799

IUPAC1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CCCC2C)cc1C
InChIInChI=1S/C15H20O2/c1-10-6-7-13(9-11(10)2)15(14(16)17)8-4-5-12(15)3/h6-7,9,12H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyVKIXGQNXLNAMSL-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.45
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid

1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid (PubChem CID 79679799) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid
PubChem CID79679799
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CCCC2C)cc1C
InChIInChI=1S/C15H20O2/c1-10-6-7-13(9-11(10)2)15(14(16)17)8-4-5-12(15)3/h6-7,9,12H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyVKIXGQNXLNAMSL-UHFFFAOYSA-N
XLogP3.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,4-dimethylphenyl)-2-methylcyclopentane-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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid (CID 79679799) is 1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid is Cc1ccc(C2(C(=O)O)CCCC2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid?
The InChIKey is VKIXGQNXLNAMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-6-7-13(9-11(10)2)15(14(16)17)8-4-5-12(15)3/h6-7,9,12H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid?
1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid has a molecular weight of 232.32 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 79679799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).