2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid

C23H16Cl2O4 — CID 70637233

IUPAC2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid
SMILESCc1ccc(Cl)cc1C(=O)c1cccc(C(=O)O)c1C(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C23H16Cl2O4/c1-12-6-8-14(24)10-18(12)21(26)16-4-3-5-17(23(28)29)20(16)22(27)19-11-15(25)9-7-13(19)2/h3-11H,1-2H3,(H,28,29)
InChIKeyCAMJCPBDQJVSAN-UHFFFAOYSA-N
MW427.28 g/mol
LogP5.77
Rot. Bonds5

About 2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid

2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid (PubChem CID 70637233) has the molecular formula C23H16Cl2O4 and a molecular weight of 427.28 g/mol. Its IUPAC name is 2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid.

Molecular Properties

Compound Name2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid
PubChem CID70637233
Molecular FormulaC23H16Cl2O4
Molecular Weight427.28 g/mol
Exact Mass426.04
IUPAC Name2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid
SMILESCc1ccc(Cl)cc1C(=O)c1cccc(C(=O)O)c1C(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C23H16Cl2O4/c1-12-6-8-14(24)10-18(12)21(26)16-4-3-5-17(23(28)29)20(16)22(27)19-11-15(25)9-7-13(19)2/h3-11H,1-2H3,(H,28,29)
InChIKeyCAMJCPBDQJVSAN-UHFFFAOYSA-N
XLogP5.77
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.28
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid;ethane-1,2-diol
CID 70637232
2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid
CID 154572941
(2-chloro-3-fluorophenyl)-(5-chloro-2-methylphenyl)methanone
CID 146005923
(5-chloro-2-hydroxyphenyl)-(2-methylphenyl)methanone
CID 21463072
5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid
CID 159378418
(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814244
2-[(5-chloro-2-methylbenzoyl)-methylamino]benzoic acid
CID 82877765
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811210
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
(5-chloro-2-methylphenyl)-(furan-2-yl)methanone
CID 82883432
5-(2,4-dichlorophenyl)-2-methylbenzoic acid
CID 65307021

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid?
The IUPAC name of 2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid (CID 70637233) is 2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid.
What is the SMILES notation for 2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid?
The canonical SMILES for 2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid is Cc1ccc(Cl)cc1C(=O)c1cccc(C(=O)O)c1C(=O)c1cc(Cl)ccc1C.
What is the InChIKey of 2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid?
The InChIKey is CAMJCPBDQJVSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2O4/c1-12-6-8-14(24)10-18(12)21(26)16-4-3-5-17(23(28)29)20(16)22(27)19-11-15(25)9-7-13(19)2/h3-11H,1-2H3,(H,28,29).
What are the key properties of 2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid?
2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid has a molecular weight of 427.28 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid is sourced from PubChem (CID 70637233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).