1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one

C15H20O — CID 24726267

IUPAC1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)C2CCC2)c1C
InChIInChI=1S/C15H20O/c1-11-5-3-6-13(12(11)2)9-10-15(16)14-7-4-8-14/h3,5-6,14H,4,7-10H2,1-2H3
InChIKeyWOPVFPDAHLIWBG-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.61
Rot. Bonds4

About 1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one

1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one (PubChem CID 24726267) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one
PubChem CID24726267
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)C2CCC2)c1C
InChIInChI=1S/C15H20O/c1-11-5-3-6-13(12(11)2)9-10-15(16)14-7-4-8-14/h3,5-6,14H,4,7-10H2,1-2H3
InChIKeyWOPVFPDAHLIWBG-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-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-cyclohexyl-3-(2-methylphenyl)propan-1-one
CID 24725660
1-cyclopropyl-3-(2-methylphenyl)propan-1-one
CID 24725657
1-cyclopentyl-3-(2-methyl-3-nitrophenyl)propan-1-one
CID 113390093
3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82289362
1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one
CID 24725961
3-(2-methylphenyl)-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 105117697
1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one
CID 24726322
1-(2,3-dimethylphenyl)-4,4-dimethylpentan-3-one
CID 64502669
1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238
3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one
CID 114606118
1-cyclobutyl-4-(2-methylphenyl)butan-2-one
CID 105102936
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one?
The IUPAC name of 1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one (CID 24726267) is 1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one.
What is the SMILES notation for 1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one?
The canonical SMILES for 1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one is Cc1cccc(CCC(=O)C2CCC2)c1C.
What is the InChIKey of 1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one?
The InChIKey is WOPVFPDAHLIWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11-5-3-6-13(12(11)2)9-10-15(16)14-7-4-8-14/h3,5-6,14H,4,7-10H2,1-2H3.
What are the key properties of 1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one?
1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one is sourced from PubChem (CID 24726267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).