(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone

C15H12BrClO3 — CID 43339859

IUPAC(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Cl)ccc2OC)cc1Br
InChIInChI=1S/C15H12BrClO3/c1-19-13-6-4-10(17)8-11(13)15(18)9-3-5-14(20-2)12(16)7-9/h3-8H,1-2H3
InChIKeyRDOVXBKDRHAXEZ-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.35
Rot. Bonds4

About (3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone

(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone (PubChem CID 43339859) has the molecular formula C15H12BrClO3 and a molecular weight of 355.62 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
PubChem CID43339859
Molecular FormulaC15H12BrClO3
Molecular Weight355.62 g/mol
Exact Mass353.97
IUPAC Name(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Cl)ccc2OC)cc1Br
InChIInChI=1S/C15H12BrClO3/c1-19-13-6-4-10(17)8-11(13)15(18)9-3-5-14(20-2)12(16)7-9/h3-8H,1-2H3
InChIKeyRDOVXBKDRHAXEZ-UHFFFAOYSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107987119
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone
CID 105056345
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
CID 43339880
(3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 104656991
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone (CID 43339859) is (3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(Cl)ccc2OC)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone?
The InChIKey is RDOVXBKDRHAXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO3/c1-19-13-6-4-10(17)8-11(13)15(18)9-3-5-14(20-2)12(16)7-9/h3-8H,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone?
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone has a molecular weight of 355.62 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 43339859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).