2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone

C16H15BrO3 — CID 59113906

IUPAC2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone
SMILESCOc1ccc(-c2ccc(OC)c(C(=O)CBr)c2)cc1
InChIInChI=1S/C16H15BrO3/c1-19-13-6-3-11(4-7-13)12-5-8-16(20-2)14(9-12)15(18)10-17/h3-9H,10H2,1-2H3
InChIKeyJWQWIIMHTFGYJF-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.95
Rot. Bonds5

About 2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone

2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone (PubChem CID 59113906) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone
PubChem CID59113906
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone
SMILESCOc1ccc(-c2ccc(OC)c(C(=O)CBr)c2)cc1
InChIInChI=1S/C16H15BrO3/c1-19-13-6-3-11(4-7-13)12-5-8-16(20-2)14(9-12)15(18)10-17/h3-9H,10H2,1-2H3
InChIKeyJWQWIIMHTFGYJF-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide
CID 82489606
2-bromo-1-(2-methoxy-5-methylphenyl)ethanone;methanamine;methane;methanedithione
CID 160540811
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
3-bromo-1-(5-ethoxy-2-methoxyphenyl)propan-1-one
CID 134625052
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
2-bromo-1-(2-bromo-4-methoxyphenyl)ethanone;2-bromo-1-(2-bromo-4-methylphenyl)ethanone
CID 22121484
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
CID 86014406
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
CID 135017986
4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile
CID 7627777
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone?
The IUPAC name of 2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone (CID 59113906) is 2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone?
The canonical SMILES for 2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone is COc1ccc(-c2ccc(OC)c(C(=O)CBr)c2)cc1.
What is the InChIKey of 2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone?
The InChIKey is JWQWIIMHTFGYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-19-13-6-3-11(4-7-13)12-5-8-16(20-2)14(9-12)15(18)10-17/h3-9H,10H2,1-2H3.
What are the key properties of 2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone?
2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone has a molecular weight of 335.20 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 59113906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).