1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone

C13H18O3 — CID 117318371

IUPAC1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone
SMILESCOc1ccc(C(C)=O)c(OC)c1C(C)C
InChIInChI=1S/C13H18O3/c1-8(2)12-11(15-4)7-6-10(9(3)14)13(12)16-5/h6-8H,1-5H3
InChIKeyRZQVXNODVUSRKQ-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.03
Rot. Bonds4

About 1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone

1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone (PubChem CID 117318371) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone
PubChem CID117318371
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone
SMILESCOc1ccc(C(C)=O)c(OC)c1C(C)C
InChIInChI=1S/C13H18O3/c1-8(2)12-11(15-4)7-6-10(9(3)14)13(12)16-5/h6-8H,1-5H3
InChIKeyRZQVXNODVUSRKQ-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dimethoxy-3-propan-2-ylphenyl)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-(3-benzyl-2,4-dimethoxyphenyl)ethanone
CID 14523506
(6-acetyl-2,3-dimethoxyphenyl) benzoate
CID 118066026
1-(4-chloro-2,3-dimethoxyphenyl)ethanone
CID 84680566
2-bromo-1-(2,4-dimethoxy-3-methylphenyl)propan-1-one
CID 14199715
1-(8-methoxy-2-methylquinolin-5-yl)ethanone
CID 82576162
1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone
CID 151811277
1-[2-(difluoromethyl)-3-methoxyphenyl]ethanone
CID 84669251
1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone
CID 131332582
1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone
CID 84666890
1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 82494135
2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117347645
1-(3-chloro-4-methoxy-2-methylphenyl)ethanone
CID 171007729

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone (CID 117318371) is 1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone is COc1ccc(C(C)=O)c(OC)c1C(C)C.
What is the InChIKey of 1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone?
The InChIKey is RZQVXNODVUSRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-8(2)12-11(15-4)7-6-10(9(3)14)13(12)16-5/h6-8H,1-5H3.
What are the key properties of 1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone?
1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone has a molecular weight of 222.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 117318371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).