1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one

C17H24O4 — CID 103164062

IUPAC1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one
SMILESCCOC1CC(CC(=O)Cc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C17H24O4/c1-4-21-15-9-13(10-15)8-14(18)7-12-5-6-16(19-2)17(11-12)20-3/h5-6,11,13,15H,4,7-10H2,1-3H3
InChIKeyVUHJBYDOTUKLNV-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.02
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one

1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one (PubChem CID 103164062) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one
PubChem CID103164062
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one
SMILESCCOC1CC(CC(=O)Cc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C17H24O4/c1-4-21-15-9-13(10-15)8-14(18)7-12-5-6-16(19-2)17(11-12)20-3/h5-6,11,13,15H,4,7-10H2,1-3H3
InChIKeyVUHJBYDOTUKLNV-UHFFFAOYSA-N
XLogP3.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-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-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 107890536
1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride
CID 67928685
1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103167727
1-(3,4-dimethoxyphenyl)heptan-2-one
CID 61056663
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
1-(3,4-dimethoxyphenyl)-4-methylidenehexan-2-one
CID 66045753
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
2-(3,4-dimethoxyphenyl)-1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 4048681
2,3-bis[(3,4-dimethoxyphenyl)methyl]-4-ethoxy-4-oxobut-2-enoic acid
CID 3657660
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one (CID 103164062) is 1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one is CCOC1CC(CC(=O)Cc2ccc(OC)c(OC)c2)C1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one?
The InChIKey is VUHJBYDOTUKLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-4-21-15-9-13(10-15)8-14(18)7-12-5-6-16(19-2)17(11-12)20-3/h5-6,11,13,15H,4,7-10H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one?
1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one has a molecular weight of 292.38 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one is sourced from PubChem (CID 103164062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).