2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid

C15H13ClO2 — CID 123817311

IUPAC2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid
SMILESCc1c(Cl)cccc1-c1ccccc1CC(=O)O
InChIInChI=1S/C15H13ClO2/c1-10-12(7-4-8-14(10)16)13-6-3-2-5-11(13)9-15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyUYESILPMFMIFEU-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.94
Rot. Bonds3

About 2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid

2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid (PubChem CID 123817311) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid
PubChem CID123817311
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid
SMILESCc1c(Cl)cccc1-c1ccccc1CC(=O)O
InChIInChI=1S/C15H13ClO2/c1-10-12(7-4-8-14(10)16)13-6-3-2-5-11(13)9-15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyUYESILPMFMIFEU-UHFFFAOYSA-N
XLogP3.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid (CID 123817311) is 2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid is Cc1c(Cl)cccc1-c1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid?
The InChIKey is UYESILPMFMIFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-10-12(7-4-8-14(10)16)13-6-3-2-5-11(13)9-15(17)18/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid?
2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid has a molecular weight of 260.72 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid is sourced from PubChem (CID 123817311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).