2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid

C12H13ClO2 — CID 175668595

IUPAC2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid
SMILESCc1cc(Cl)cc(C(C(=O)O)C2CC2)c1
InChIInChI=1S/C12H13ClO2/c1-7-4-9(6-10(13)5-7)11(12(14)15)8-2-3-8/h4-6,8,11H,2-3H2,1H3,(H,14,15)
InChIKeyWDFRCRZOMNRHKQ-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.23
Rot. Bonds3

About 2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid

2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid (PubChem CID 175668595) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid
PubChem CID175668595
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid
SMILESCc1cc(Cl)cc(C(C(=O)O)C2CC2)c1
InChIInChI=1S/C12H13ClO2/c1-7-4-9(6-10(13)5-7)11(12(14)15)8-2-3-8/h4-6,8,11H,2-3H2,1H3,(H,14,15)
InChIKeyWDFRCRZOMNRHKQ-UHFFFAOYSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid?
The IUPAC name of 2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid (CID 175668595) is 2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid is Cc1cc(Cl)cc(C(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid?
The InChIKey is WDFRCRZOMNRHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-7-4-9(6-10(13)5-7)11(12(14)15)8-2-3-8/h4-6,8,11H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid?
2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid has a molecular weight of 224.69 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid is sourced from PubChem (CID 175668595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).