bis(2-bromophenyl)methanone

C13H8Br2O — CID 10449890

IUPACbis(2-bromophenyl)methanone
SMILESO=C(c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C13H8Br2O/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8H
InChIKeyJCVYQVHAGOZGIX-UHFFFAOYSA-N
MW340.01 g/mol
LogP4.44
Rot. Bonds2

About bis(2-bromophenyl)methanone

bis(2-bromophenyl)methanone (PubChem CID 10449890) has the molecular formula C13H8Br2O and a molecular weight of 340.01 g/mol. Its IUPAC name is bis(2-bromophenyl)methanone.

Molecular Properties

Compound Namebis(2-bromophenyl)methanone
PubChem CID10449890
Molecular FormulaC13H8Br2O
Molecular Weight340.01 g/mol
Exact Mass337.89
IUPAC Namebis(2-bromophenyl)methanone
SMILESO=C(c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C13H8Br2O/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8H
InChIKeyJCVYQVHAGOZGIX-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.01
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze bis(2-bromophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-bromophenyl)methanone?
The IUPAC name of bis(2-bromophenyl)methanone (CID 10449890) is bis(2-bromophenyl)methanone.
What is the SMILES notation for bis(2-bromophenyl)methanone?
The canonical SMILES for bis(2-bromophenyl)methanone is O=C(c1ccccc1Br)c1ccccc1Br.
What is the InChIKey of bis(2-bromophenyl)methanone?
The InChIKey is JCVYQVHAGOZGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2O/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8H.
What are the key properties of bis(2-bromophenyl)methanone?
bis(2-bromophenyl)methanone has a molecular weight of 340.01 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bromophenyl)methanone is sourced from PubChem (CID 10449890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).