(4-bromophenyl)-phenylmethanone

C13H9BrO — CID 7030

IUPAC(4-bromophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChIKeyKEOLYBMGRQYQTN-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.68
Rot. Bonds2

About (4-bromophenyl)-phenylmethanone

(4-bromophenyl)-phenylmethanone (PubChem CID 7030) has the molecular formula C13H9BrO and a molecular weight of 261.12 g/mol. Its IUPAC name is (4-bromophenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-bromophenyl)-phenylmethanone
PubChem CID7030
Molecular FormulaC13H9BrO
Molecular Weight261.12 g/mol
Exact Mass259.98
IUPAC Name(4-bromophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChIKeyKEOLYBMGRQYQTN-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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Related Compounds

Benzophenone
CID 3102
Chalcone
CID 637760
Dibenzoylmethane
CID 8433
4-Bromophenacyl bromide
CID 7454
Benzil
CID 8651
Phenacyl bromide
CID 6259
2-(4-Bromophenyl)-1H-indene-1,3(2H)-dione
CID 14369
4,4'-Dibromobenzil
CID 96430
p-Bromoacetophenone
CID 7466
1-(1,1'-Biphenyl)-4-yl-2-bromoethanone
CID 67282
2-Phenylacetophenone
CID 9948
2-Bromopropiophenone
CID 16452

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-phenylmethanone?
The IUPAC name of (4-bromophenyl)-phenylmethanone (CID 7030) is (4-bromophenyl)-phenylmethanone.
What is the SMILES notation for (4-bromophenyl)-phenylmethanone?
The canonical SMILES for (4-bromophenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-phenylmethanone?
The InChIKey is KEOLYBMGRQYQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H.
What are the key properties of (4-bromophenyl)-phenylmethanone?
(4-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 (4-bromophenyl)-phenylmethanone is sourced from PubChem (CID 7030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).