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

C15H12BrClO2 — CID 63492340

IUPAC(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C)c(Cl)c2)c(Br)c1
InChIInChI=1S/C15H12BrClO2/c1-9-3-4-10(7-14(9)17)15(18)12-6-5-11(19-2)8-13(12)16/h3-8H,1-2H3
InChIKeyQVGCDPKUZMLYBZ-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.65
Rot. Bonds3

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

(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone (PubChem CID 63492340) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
PubChem CID63492340
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C)c(Cl)c2)c(Br)c1
InChIInChI=1S/C15H12BrClO2/c1-9-3-4-10(7-14(9)17)15(18)12-6-5-11(19-2)8-13(12)16/h3-8H,1-2H3
InChIKeyQVGCDPKUZMLYBZ-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 55196391
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone
CID 115565794
N-(2-bromo-5-methoxyphenyl)-3-chloro-4-methylbenzamide
CID 63235634
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone
CID 114971196
(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 107987161
(2-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63210027
(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone
CID 81471764
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 60786281

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone (CID 63492340) is (2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone is COc1ccc(C(=O)c2ccc(C)c(Cl)c2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone?
The InChIKey is QVGCDPKUZMLYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-9-3-4-10(7-14(9)17)15(18)12-6-5-11(19-2)8-13(12)16/h3-8H,1-2H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone?
(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone has a molecular weight of 339.62 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 63492340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).