1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one

C14H20O3 — CID 61055069

IUPAC1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one
SMILESCCC(C)C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H20O3/c1-5-10(2)12(15)8-11-6-7-13(16-3)14(9-11)17-4/h6-7,9-10H,5,8H2,1-4H3
InChIKeyFFHVLTSBQXKDKB-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.86
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one

1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one (PubChem CID 61055069) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one
PubChem CID61055069
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one
SMILESCCC(C)C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H20O3/c1-5-10(2)12(15)8-11-6-7-13(16-3)14(9-11)17-4/h6-7,9-10H,5,8H2,1-4H3
InChIKeyFFHVLTSBQXKDKB-UHFFFAOYSA-N
XLogP2.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one 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-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
1-(3,4-dimethoxyphenyl)-2-methylpentan-3-one
CID 79019340
1-(3,4-dimethoxyphenyl)-4-methylpentan-3-one
CID 64503586
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61121082
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599
1-(3,4-dimethoxyphenyl)-4-hydroxybutane-2,3-dione
CID 69126114
methyl 3-(3,4-dimethoxyphenyl)-2-oxopropanoate
CID 15852024
2-[(3,4-dimethoxyphenyl)methylamino]butanoic acid
CID 64668160
1-(3-fluoro-4-methoxyphenyl)-3-methyl-4-(methylamino)butan-2-one
CID 116586735
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236029
1-(3,4-dimethoxyphenyl)-3-methylpentan-2-ol
CID 63018781
1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
CID 103451541

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one (CID 61055069) is 1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one is CCC(C)C(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one?
The InChIKey is FFHVLTSBQXKDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-10(2)12(15)8-11-6-7-13(16-3)14(9-11)17-4/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one?
1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one has a molecular weight of 236.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one is sourced from PubChem (CID 61055069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).