(3-bromophenyl)-(4-chlorophenyl)methanone

C13H8BrClO — CID 2756866

IUPAC(3-bromophenyl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C13H8BrClO/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8H
InChIKeyJDSRHMLEPCMXHS-UHFFFAOYSA-N
MW295.56 g/mol
LogP4.33
Rot. Bonds2

About (3-bromophenyl)-(4-chlorophenyl)methanone

(3-bromophenyl)-(4-chlorophenyl)methanone (PubChem CID 2756866) has the molecular formula C13H8BrClO and a molecular weight of 295.56 g/mol. Its IUPAC name is (3-bromophenyl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(4-chlorophenyl)methanone
PubChem CID2756866
Molecular FormulaC13H8BrClO
Molecular Weight295.56 g/mol
Exact Mass293.94
IUPAC Name(3-bromophenyl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C13H8BrClO/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8H
InChIKeyJDSRHMLEPCMXHS-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.56
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(4-chlorophenyl)methanone?
The IUPAC name of (3-bromophenyl)-(4-chlorophenyl)methanone (CID 2756866) is (3-bromophenyl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (3-bromophenyl)-(4-chlorophenyl)methanone?
The canonical SMILES for (3-bromophenyl)-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-(4-chlorophenyl)methanone?
The InChIKey is JDSRHMLEPCMXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClO/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8H.
What are the key properties of (3-bromophenyl)-(4-chlorophenyl)methanone?
(3-bromophenyl)-(4-chlorophenyl)methanone has a molecular weight of 295.56 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 2756866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).