(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone

C16H14Br2O2 — CID 81471764

IUPAC(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(C)c(Br)c2)c(Br)c1
InChIInChI=1S/C16H14Br2O2/c1-3-20-12-6-7-13(15(18)9-12)16(19)11-5-4-10(2)14(17)8-11/h4-9H,3H2,1-2H3
InChIKeyZVGSLYOMYJOHTH-UHFFFAOYSA-N
MW398.09 g/mol
LogP5.15
Rot. Bonds4

About (2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone

(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone (PubChem CID 81471764) has the molecular formula C16H14Br2O2 and a molecular weight of 398.09 g/mol. Its IUPAC name is (2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone
PubChem CID81471764
Molecular FormulaC16H14Br2O2
Molecular Weight398.09 g/mol
Exact Mass395.94
IUPAC Name(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(C)c(Br)c2)c(Br)c1
InChIInChI=1S/C16H14Br2O2/c1-3-20-12-6-7-13(15(18)9-12)16(19)11-5-4-10(2)14(17)8-11/h4-9H,3H2,1-2H3
InChIKeyZVGSLYOMYJOHTH-UHFFFAOYSA-N
XLogP5.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.09
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819681
(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107949965
methyl 2-bromo-4-(4-ethoxybenzoyl)benzoate
CID 89453280
(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 63492340
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127
1-(2-bromo-4-ethoxyphenyl)prop-2-en-1-one
CID 103522548
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 104656758
1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone
CID 81429202
3-bromo-1-(2-bromo-4-ethoxyphenyl)propan-1-one
CID 134624468
2-bromo-N,4-diethoxybenzamide
CID 90850179
(3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812872
(2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone
CID 81454699

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone?
The IUPAC name of (2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone (CID 81471764) is (2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone.
What is the SMILES notation for (2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone?
The canonical SMILES for (2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone is CCOc1ccc(C(=O)c2ccc(C)c(Br)c2)c(Br)c1.
What is the InChIKey of (2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone?
The InChIKey is ZVGSLYOMYJOHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O2/c1-3-20-12-6-7-13(15(18)9-12)16(19)11-5-4-10(2)14(17)8-11/h4-9H,3H2,1-2H3.
What are the key properties of (2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone?
(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone has a molecular weight of 398.09 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone is sourced from PubChem (CID 81471764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).