bis(4-chlorophenyl)methanone

C13H8Cl2O — CID 7034

IUPACbis(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKeyOKISUZLXOYGIFP-UHFFFAOYSA-N
MW251.11 g/mol
LogP4.22
Rot. Bonds2

About bis(4-chlorophenyl)methanone

bis(4-chlorophenyl)methanone (PubChem CID 7034) has the molecular formula C13H8Cl2O and a molecular weight of 251.11 g/mol. Its IUPAC name is bis(4-chlorophenyl)methanone.

Molecular Properties

Compound Namebis(4-chlorophenyl)methanone
PubChem CID7034
Molecular FormulaC13H8Cl2O
Molecular Weight251.11 g/mol
Exact Mass250.00
IUPAC Namebis(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKeyOKISUZLXOYGIFP-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl)methanone?
The IUPAC name of bis(4-chlorophenyl)methanone (CID 7034) is bis(4-chlorophenyl)methanone.
What is the SMILES notation for bis(4-chlorophenyl)methanone?
The canonical SMILES for bis(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of bis(4-chlorophenyl)methanone?
The InChIKey is OKISUZLXOYGIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H.
What are the key properties of bis(4-chlorophenyl)methanone?
bis(4-chlorophenyl)methanone has a molecular weight of 251.11 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl)methanone is sourced from PubChem (CID 7034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).