4-chloro-2-(2-methylphenyl)benzoic acid

C14H11ClO2 — CID 53224862

IUPAC4-chloro-2-(2-methylphenyl)benzoic acid
SMILESCc1ccccc1-c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H11ClO2/c1-9-4-2-3-5-11(9)13-8-10(15)6-7-12(13)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyYFPBCJRROWSNHZ-UHFFFAOYSA-N
MW246.69 g/mol
LogP4.01
Rot. Bonds2

About 4-chloro-2-(2-methylphenyl)benzoic acid

4-chloro-2-(2-methylphenyl)benzoic acid (PubChem CID 53224862) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 4-chloro-2-(2-methylphenyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(2-methylphenyl)benzoic acid
PubChem CID53224862
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name4-chloro-2-(2-methylphenyl)benzoic acid
SMILESCc1ccccc1-c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H11ClO2/c1-9-4-2-3-5-11(9)13-8-10(15)6-7-12(13)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyYFPBCJRROWSNHZ-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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Related Compounds

4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
CID 53226756
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
4-chloro-2-phenylbenzoic acid
CID 11424784
4-tert-butyl-2-(2-methylphenyl)benzoic acid
CID 20627859
4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid
CID 107989750
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268
4-chloro-2-methyl-1-(2-methylphenyl)benzene
CID 70849207
4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid
CID 10633904
2-[2-(2-carboxyphenyl)-4-chlorophenyl]benzoic acid
CID 90412939
3-(2-methylphenyl)naphthalene-2-carboxylic acid
CID 171127461
2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
CID 67933497
4-chloro-2-methylbenzoic acid;ethane
CID 145482472

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylphenyl)benzoic acid?
The IUPAC name of 4-chloro-2-(2-methylphenyl)benzoic acid (CID 53224862) is 4-chloro-2-(2-methylphenyl)benzoic acid.
What is the SMILES notation for 4-chloro-2-(2-methylphenyl)benzoic acid?
The canonical SMILES for 4-chloro-2-(2-methylphenyl)benzoic acid is Cc1ccccc1-c1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-(2-methylphenyl)benzoic acid?
The InChIKey is YFPBCJRROWSNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c1-9-4-2-3-5-11(9)13-8-10(15)6-7-12(13)14(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 4-chloro-2-(2-methylphenyl)benzoic acid?
4-chloro-2-(2-methylphenyl)benzoic 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 4-chloro-2-(2-methylphenyl)benzoic acid is sourced from PubChem (CID 53224862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).