3-(2-chlorophenyl)-2-methylpropanoic acid

C10H11ClO2 — CID 11252613

IUPAC3-(2-chlorophenyl)-2-methylpropanoic acid
SMILESCC(Cc1ccccc1Cl)C(=O)O
InChIInChI=1S/C10H11ClO2/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyCBKRIEHLKJRGGM-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.60
Rot. Bonds3

About 3-(2-chlorophenyl)-2-methylpropanoic acid

3-(2-chlorophenyl)-2-methylpropanoic acid (PubChem CID 11252613) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-methylpropanoic acid
PubChem CID11252613
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name3-(2-chlorophenyl)-2-methylpropanoic acid
SMILESCC(Cc1ccccc1Cl)C(=O)O
InChIInChI=1S/C10H11ClO2/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyCBKRIEHLKJRGGM-UHFFFAOYSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-2-methylpropanoic acid (CID 11252613) is 3-(2-chlorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-2-methylpropanoic acid is CC(Cc1ccccc1Cl)C(=O)O.
What is the InChIKey of 3-(2-chlorophenyl)-2-methylpropanoic acid?
The InChIKey is CBKRIEHLKJRGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13).
What are the key properties of 3-(2-chlorophenyl)-2-methylpropanoic acid?
3-(2-chlorophenyl)-2-methylpropanoic acid has a molecular weight of 198.65 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 11252613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).