1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone

C17H17BrO2 — CID 114963290

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
SMILESCOc1cc(Br)ccc1C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H17BrO2/c1-11-6-12(2)8-13(7-11)9-16(19)15-5-4-14(18)10-17(15)20-3/h4-8,10H,9H2,1-3H3
InChIKeySZMZWIKVPZVPQT-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.50
Rot. Bonds4

About 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone

1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone (PubChem CID 114963290) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
PubChem CID114963290
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
SMILESCOc1cc(Br)ccc1C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H17BrO2/c1-11-6-12(2)8-13(7-11)9-16(19)15-5-4-14(18)10-17(15)20-3/h4-8,10H,9H2,1-3H3
InChIKeySZMZWIKVPZVPQT-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 115369376
1-(2,4-dibromophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 107944282
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334
1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone
CID 113296084
1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 116809971
1-(4-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974372
2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 107285015
2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 43626572
1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone
CID 105056472
1-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62387371
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone
CID 114964594

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone (CID 114963290) is 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone is COc1cc(Br)ccc1C(=O)Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone?
The InChIKey is SZMZWIKVPZVPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-11-6-12(2)8-13(7-11)9-16(19)15-5-4-14(18)10-17(15)20-3/h4-8,10H,9H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone?
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone has a molecular weight of 333.23 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 114963290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).