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

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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).