bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene

C25H16Cl4O — CID 70610303

IUPACbis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene
SMILESClc1cccc(-c2cccc(Cl)c2)c1.O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2O.C12H8Cl2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H;1-8H
InChIKeyBNDIMDOZLKQADM-UHFFFAOYSA-N
MW474.21 g/mol
LogP8.88
Rot. Bonds3

About bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene

bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene (PubChem CID 70610303) has the molecular formula C25H16Cl4O and a molecular weight of 474.21 g/mol. Its IUPAC name is bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene.

Molecular Properties

Compound Namebis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene
PubChem CID70610303
Molecular FormulaC25H16Cl4O
Molecular Weight474.21 g/mol
Exact Mass472.00
IUPAC Namebis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene
SMILESClc1cccc(-c2cccc(Cl)c2)c1.O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2O.C12H8Cl2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H;1-8H
InChIKeyBNDIMDOZLKQADM-UHFFFAOYSA-N
XLogP8.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.21
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chlorophenyl)benzoate
CID 7021697
[2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
CID 25265551
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone
CID 22136492
6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 11452553
[2-(3-chlorophenyl)phenyl]-phenylmethanone
CID 174644263
(4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone
CID 10938449
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone
CID 23388862
3-(4-chlorophenyl)benzoic acid
CID 2757419
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474

Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene?
The IUPAC name of bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene (CID 70610303) is bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene.
What is the SMILES notation for bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene?
The canonical SMILES for bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene is Clc1cccc(-c2cccc(Cl)c2)c1.O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene?
The InChIKey is BNDIMDOZLKQADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O.C12H8Cl2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H;1-8H.
What are the key properties of bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene?
bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene has a molecular weight of 474.21 g/mol, XLogP of 8.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene is sourced from PubChem (CID 70610303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).