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

C14H10Cl2O2 — CID 53226756

IUPAC4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
SMILESCc1cc(Cl)ccc1-c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H10Cl2O2/c1-8-6-9(15)2-4-11(8)13-7-10(16)3-5-12(13)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyVFEHJUYRVSVCEF-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.67
Rot. Bonds2

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

4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid (PubChem CID 53226756) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
PubChem CID53226756
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
SMILESCc1cc(Cl)ccc1-c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H10Cl2O2/c1-8-6-9(15)2-4-11(8)13-7-10(16)3-5-12(13)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyVFEHJUYRVSVCEF-UHFFFAOYSA-N
XLogP4.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268
4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid
CID 107989750
4-chloro-2-methylbenzoic acid;ethane
CID 145482472
4-chloro-2-(2,3,4-trifluorophenyl)benzoic acid
CID 114024694
4-chloro-2-phenylbenzoic acid
CID 11424784
4-chlorobenzoic acid;4-chloro-2-methylbenzoic acid;iodomethane
CID 160911863
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
2-acetyl-5-chlorobenzoic acid
CID 11229391
2-[2-(2-carboxyphenyl)-4-chlorophenyl]benzoic acid
CID 90412939
4-[(5-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 82877635
2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
CID 172914048

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid?
The IUPAC name of 4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid (CID 53226756) is 4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid.
What is the SMILES notation for 4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid?
The canonical SMILES for 4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid is Cc1cc(Cl)ccc1-c1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid?
The InChIKey is VFEHJUYRVSVCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c1-8-6-9(15)2-4-11(8)13-7-10(16)3-5-12(13)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid?
4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid has a molecular weight of 281.14 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid is sourced from PubChem (CID 53226756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).