2-(3,4-dichlorobenzoyl)benzoic acid

C14H8Cl2O3 — CID 793356

IUPAC2-(3,4-dichlorobenzoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2O3/c15-11-6-5-8(7-12(11)16)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)
InChIKeyASSUNYJRBMKLBJ-UHFFFAOYSA-N
MW295.12 g/mol
LogP3.92
Rot. Bonds3

About 2-(3,4-dichlorobenzoyl)benzoic acid

2-(3,4-dichlorobenzoyl)benzoic acid (PubChem CID 793356) has the molecular formula C14H8Cl2O3 and a molecular weight of 295.12 g/mol. Its IUPAC name is 2-(3,4-dichlorobenzoyl)benzoic acid.

Molecular Properties

Compound Name2-(3,4-dichlorobenzoyl)benzoic acid
PubChem CID793356
Molecular FormulaC14H8Cl2O3
Molecular Weight295.12 g/mol
Exact Mass293.99
IUPAC Name2-(3,4-dichlorobenzoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2O3/c15-11-6-5-8(7-12(11)16)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)
InChIKeyASSUNYJRBMKLBJ-UHFFFAOYSA-N
XLogP3.92
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-sulfobenzoyl)benzoic acid
CID 12850057
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344485
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
4-(2-acetylbenzoyl)phthalic acid
CID 71123619
2-[(Z)-2-carboxy-2-(3,4-dichlorophenyl)ethenyl]benzoic acid
CID 83954049
4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid
CID 143439046
2-(4-trimethylsilylbenzoyl)benzoic acid
CID 59081715
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
(3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 113254913
2-(3-methylbenzoyl)benzoic acid
CID 2801746
2-(4-bromo-3-methylbenzoyl)benzoic acid
CID 123816011

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorobenzoyl)benzoic acid?
The IUPAC name of 2-(3,4-dichlorobenzoyl)benzoic acid (CID 793356) is 2-(3,4-dichlorobenzoyl)benzoic acid.
What is the SMILES notation for 2-(3,4-dichlorobenzoyl)benzoic acid?
The canonical SMILES for 2-(3,4-dichlorobenzoyl)benzoic acid is O=C(O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorobenzoyl)benzoic acid?
The InChIKey is ASSUNYJRBMKLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2O3/c15-11-6-5-8(7-12(11)16)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19).
What are the key properties of 2-(3,4-dichlorobenzoyl)benzoic acid?
2-(3,4-dichlorobenzoyl)benzoic acid has a molecular weight of 295.12 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorobenzoyl)benzoic acid is sourced from PubChem (CID 793356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).