2-(2,4-dimethoxyphenyl)-1-phenylethanone

C16H16O3 — CID 10467591

IUPAC2-(2,4-dimethoxyphenyl)-1-phenylethanone
SMILESCOc1ccc(CC(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H16O3/c1-18-14-9-8-13(16(11-14)19-2)10-15(17)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyWZMHLUYQAUNDGX-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.13
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)-1-phenylethanone

2-(2,4-dimethoxyphenyl)-1-phenylethanone (PubChem CID 10467591) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-1-phenylethanone
PubChem CID10467591
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-(2,4-dimethoxyphenyl)-1-phenylethanone
SMILESCOc1ccc(CC(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H16O3/c1-18-14-9-8-13(16(11-14)19-2)10-15(17)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyWZMHLUYQAUNDGX-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dimethoxyphenyl)-1-phenylethanone 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

methyl 2,4-dimethoxy-6-phenacylbenzoate
CID 10358262
1-phenyl-2-(2,3,4-trimethoxyphenyl)ethanone
CID 10108046
2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone
CID 25146988
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone
CID 58400732
2-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)acetamide
CID 9403807
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9029412
(4,5-dimethoxy-2-phenacylphenyl) acetate
CID 70083243
2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 142728271
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-1-phenylethanone?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-1-phenylethanone (CID 10467591) is 2-(2,4-dimethoxyphenyl)-1-phenylethanone.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-1-phenylethanone?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-1-phenylethanone is COc1ccc(CC(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-1-phenylethanone?
The InChIKey is WZMHLUYQAUNDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-14-9-8-13(16(11-14)19-2)10-15(17)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-1-phenylethanone?
2-(2,4-dimethoxyphenyl)-1-phenylethanone has a molecular weight of 256.30 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-1-phenylethanone is sourced from PubChem (CID 10467591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).