bis[2-(3-bromophenyl)phenyl]methanone

C25H16Br2O — CID 54092576

IUPACbis[2-(3-bromophenyl)phenyl]methanone
SMILESO=C(c1ccccc1-c1cccc(Br)c1)c1ccccc1-c1cccc(Br)c1
InChIInChI=1S/C25H16Br2O/c26-19-9-5-7-17(15-19)21-11-1-3-13-23(21)25(28)24-14-4-2-12-22(24)18-8-6-10-20(27)16-18/h1-16H
InChIKeyMUWNNONJJLLNEG-UHFFFAOYSA-N
MW492.21 g/mol
LogP7.78
Rot. Bonds4

About bis[2-(3-bromophenyl)phenyl]methanone

bis[2-(3-bromophenyl)phenyl]methanone (PubChem CID 54092576) has the molecular formula C25H16Br2O and a molecular weight of 492.21 g/mol. Its IUPAC name is bis[2-(3-bromophenyl)phenyl]methanone.

Molecular Properties

Compound Namebis[2-(3-bromophenyl)phenyl]methanone
PubChem CID54092576
Molecular FormulaC25H16Br2O
Molecular Weight492.21 g/mol
Exact Mass489.96
IUPAC Namebis[2-(3-bromophenyl)phenyl]methanone
SMILESO=C(c1ccccc1-c1cccc(Br)c1)c1ccccc1-c1cccc(Br)c1
InChIInChI=1S/C25H16Br2O/c26-19-9-5-7-17(15-19)21-11-1-3-13-23(21)25(28)24-14-4-2-12-22(24)18-8-6-10-20(27)16-18/h1-16H
InChIKeyMUWNNONJJLLNEG-UHFFFAOYSA-N
XLogP7.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.21
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis[2-(3-bromophenyl)phenyl]methanone?
The IUPAC name of bis[2-(3-bromophenyl)phenyl]methanone (CID 54092576) is bis[2-(3-bromophenyl)phenyl]methanone.
What is the SMILES notation for bis[2-(3-bromophenyl)phenyl]methanone?
The canonical SMILES for bis[2-(3-bromophenyl)phenyl]methanone is O=C(c1ccccc1-c1cccc(Br)c1)c1ccccc1-c1cccc(Br)c1.
What is the InChIKey of bis[2-(3-bromophenyl)phenyl]methanone?
The InChIKey is MUWNNONJJLLNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Br2O/c26-19-9-5-7-17(15-19)21-11-1-3-13-23(21)25(28)24-14-4-2-12-22(24)18-8-6-10-20(27)16-18/h1-16H.
What are the key properties of bis[2-(3-bromophenyl)phenyl]methanone?
bis[2-(3-bromophenyl)phenyl]methanone has a molecular weight of 492.21 g/mol, XLogP of 7.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(3-bromophenyl)phenyl]methanone is sourced from PubChem (CID 54092576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).