(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone

C20H12Cl2O2 — CID 18951954

IUPAC(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Cl)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H12Cl2O2/c21-16-9-6-14(7-10-16)19(23)15-8-11-18(22)17(12-15)20(24)13-4-2-1-3-5-13/h1-12H
InChIKeyWUQPTDRXDRZMDE-UHFFFAOYSA-N
MW355.22 g/mol
LogP5.46
Rot. Bonds4

About (3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone

(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone (PubChem CID 18951954) has the molecular formula C20H12Cl2O2 and a molecular weight of 355.22 g/mol. Its IUPAC name is (3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
PubChem CID18951954
Molecular FormulaC20H12Cl2O2
Molecular Weight355.22 g/mol
Exact Mass354.02
IUPAC Name(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Cl)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H12Cl2O2/c21-16-9-6-14(7-10-16)19(23)15-8-11-18(22)17(12-15)20(24)13-4-2-1-3-5-13/h1-12H
InChIKeyWUQPTDRXDRZMDE-UHFFFAOYSA-N
XLogP5.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.22
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
4-chloro-3-(4-chlorobenzoyl)benzoyl bromide
CID 87246560
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
[2-chloro-5-(methylamino)phenyl]-phenylmethanone
CID 21314189
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
4-(4-chlorobenzoyl)benzene-1,3-dicarboxylic acid
CID 587323
2-(3,4-dichlorobenzoyl)benzoic acid
CID 793356
diphenylmethanone
CID 3102
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone
CID 110823607

Frequently Asked Questions

What is the IUPAC name of (3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone?
The IUPAC name of (3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone (CID 18951954) is (3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone?
The canonical SMILES for (3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1ccc(Cl)c(C(=O)c2ccccc2)c1.
What is the InChIKey of (3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone?
The InChIKey is WUQPTDRXDRZMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2O2/c21-16-9-6-14(7-10-16)19(23)15-8-11-18(22)17(12-15)20(24)13-4-2-1-3-5-13/h1-12H.
What are the key properties of (3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone?
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone has a molecular weight of 355.22 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 18951954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).