2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone

C17H17BrO3 — CID 43626572

IUPAC2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
SMILESCOc1cc(C)c(C(=O)Cc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C17H17BrO3/c1-11-8-16(20-2)17(21-3)10-14(11)15(19)9-12-4-6-13(18)7-5-12/h4-8,10H,9H2,1-3H3
InChIKeyTWQITHNKBYAZJY-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.20
Rot. Bonds5

About 2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone

2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone (PubChem CID 43626572) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
PubChem CID43626572
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
SMILESCOc1cc(C)c(C(=O)Cc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C17H17BrO3/c1-11-8-16(20-2)17(21-3)10-14(11)15(19)9-12-4-6-13(18)7-5-12/h4-8,10H,9H2,1-3H3
InChIKeyTWQITHNKBYAZJY-UHFFFAOYSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)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

1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone
CID 105056472
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 61055896
1-(4,5-dimethoxy-2-methylphenyl)-2-(2-methylphenyl)ethanone
CID 43626555
1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 62389766
2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone
CID 165344990
2-bromo-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 15643655
1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 115369376
2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 43161702
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
4,5-dimethoxy-2-methylbenzoyl bromide
CID 116924582
1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone
CID 116581383
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 114963290

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone (CID 43626572) is 2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone is COc1cc(C)c(C(=O)Cc2ccc(Br)cc2)cc1OC.
What is the InChIKey of 2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone?
The InChIKey is TWQITHNKBYAZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-11-8-16(20-2)17(21-3)10-14(11)15(19)9-12-4-6-13(18)7-5-12/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone?
2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone has a molecular weight of 349.22 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone is sourced from PubChem (CID 43626572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).