2-chloro-6-methyl-4-phenylbenzoic acid

C14H11ClO2 — CID 140590152

IUPAC2-chloro-6-methyl-4-phenylbenzoic acid
SMILESCc1cc(-c2ccccc2)cc(Cl)c1C(=O)O
InChIInChI=1S/C14H11ClO2/c1-9-7-11(10-5-3-2-4-6-10)8-12(15)13(9)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyWSMQPBSFPFWLHY-UHFFFAOYSA-N
MW246.69 g/mol
LogP4.01
Rot. Bonds2

About 2-chloro-6-methyl-4-phenylbenzoic acid

2-chloro-6-methyl-4-phenylbenzoic acid (PubChem CID 140590152) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-chloro-6-methyl-4-phenylbenzoic acid
PubChem CID140590152
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name2-chloro-6-methyl-4-phenylbenzoic acid
SMILESCc1cc(-c2ccccc2)cc(Cl)c1C(=O)O
InChIInChI=1S/C14H11ClO2/c1-9-7-11(10-5-3-2-4-6-10)8-12(15)13(9)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyWSMQPBSFPFWLHY-UHFFFAOYSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-phenylbenzoic acid?
The IUPAC name of 2-chloro-6-methyl-4-phenylbenzoic acid (CID 140590152) is 2-chloro-6-methyl-4-phenylbenzoic acid.
What is the SMILES notation for 2-chloro-6-methyl-4-phenylbenzoic acid?
The canonical SMILES for 2-chloro-6-methyl-4-phenylbenzoic acid is Cc1cc(-c2ccccc2)cc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-methyl-4-phenylbenzoic acid?
The InChIKey is WSMQPBSFPFWLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c1-9-7-11(10-5-3-2-4-6-10)8-12(15)13(9)14(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 2-chloro-6-methyl-4-phenylbenzoic acid?
2-chloro-6-methyl-4-phenylbenzoic acid has a molecular weight of 246.69 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-phenylbenzoic acid is sourced from PubChem (CID 140590152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).