(2-bromophenyl)-phenylmethanone

C13H9BrO — CID 2735534

IUPAC(2-bromophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C13H9BrO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H
InChIKeyABEVIHIQUUXDMS-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.68
Rot. Bonds2

About (2-bromophenyl)-phenylmethanone

(2-bromophenyl)-phenylmethanone (PubChem CID 2735534) has the molecular formula C13H9BrO and a molecular weight of 261.12 g/mol. Its IUPAC name is (2-bromophenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-bromophenyl)-phenylmethanone
PubChem CID2735534
Molecular FormulaC13H9BrO
Molecular Weight261.12 g/mol
Exact Mass259.98
IUPAC Name(2-bromophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C13H9BrO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H
InChIKeyABEVIHIQUUXDMS-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-phenylmethanone?
The IUPAC name of (2-bromophenyl)-phenylmethanone (CID 2735534) is (2-bromophenyl)-phenylmethanone.
What is the SMILES notation for (2-bromophenyl)-phenylmethanone?
The canonical SMILES for (2-bromophenyl)-phenylmethanone is O=C(c1ccccc1)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-phenylmethanone?
The InChIKey is ABEVIHIQUUXDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H.
What are the key properties of (2-bromophenyl)-phenylmethanone?
(2-bromophenyl)-phenylmethanone has a molecular weight of 261.12 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-phenylmethanone is sourced from PubChem (CID 2735534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).