2-(4-methylphenyl)cyclopropane-1-carboxylic acid

C11H12O2 — CID 23423017

IUPAC2-(4-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(C2CC2C(=O)O)cc1
InChIInChI=1S/C11H12O2/c1-7-2-4-8(5-3-7)9-6-10(9)11(12)13/h2-5,9-10H,6H2,1H3,(H,12,13)
InChIKeyGAGYDDATWSBNEG-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.18
Rot. Bonds2

About 2-(4-methylphenyl)cyclopropane-1-carboxylic acid

2-(4-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 23423017) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(4-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID23423017
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-(4-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(C2CC2C(=O)O)cc1
InChIInChI=1S/C11H12O2/c1-7-2-4-8(5-3-7)9-6-10(9)11(12)13/h2-5,9-10H,6H2,1H3,(H,12,13)
InChIKeyGAGYDDATWSBNEG-UHFFFAOYSA-N
XLogP2.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-methylphenyl)cyclopropane-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-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone
CID 39057983
trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 54256967
(1R)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 105437337
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 81020836
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 7145905
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
2-(4-phosphanylphenyl)cyclopropane-1-carboxylic acid
CID 126735709
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152
4-(4-methylphenyl)-1,1-dioxothiolane-3-carboxylic acid
CID 84804736

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-methylphenyl)cyclopropane-1-carboxylic acid (CID 23423017) is 2-(4-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-methylphenyl)cyclopropane-1-carboxylic acid is Cc1ccc(C2CC2C(=O)O)cc1.
What is the InChIKey of 2-(4-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is GAGYDDATWSBNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-7-2-4-8(5-3-7)9-6-10(9)11(12)13/h2-5,9-10H,6H2,1H3,(H,12,13).
What are the key properties of 2-(4-methylphenyl)cyclopropane-1-carboxylic acid?
2-(4-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 176.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 23423017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).