2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone

C18H20O3 — CID 43339993

IUPAC2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C18H20O3/c1-12-5-7-15(9-13(12)2)16(19)10-14-6-8-17(20-3)18(11-14)21-4/h5-9,11H,10H2,1-4H3
InChIKeyIIVJFNJQMWAILU-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.75
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone

2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone (PubChem CID 43339993) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone
PubChem CID43339993
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C18H20O3/c1-12-5-7-15(9-13(12)2)16(19)10-14-6-8-17(20-3)18(11-14)21-4/h5-9,11H,10H2,1-4H3
InChIKeyIIVJFNJQMWAILU-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dimethoxyphenyl)-1-(3,4-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-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)ethanone
CID 60919062
2-(4-iodophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 114974195
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 61055896
2-(3,4-dimethoxyphenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 79693880
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 43379572
2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299275
2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone
CID 165344990
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379558
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 114329738
1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone
CID 157120935
1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
CID 107956974

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone (CID 43339993) is 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone is COc1ccc(CC(=O)c2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone?
The InChIKey is IIVJFNJQMWAILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-5-7-15(9-13(12)2)16(19)10-14-6-8-17(20-3)18(11-14)21-4/h5-9,11H,10H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone?
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone has a molecular weight of 284.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 43339993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).