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

C16H22O — CID 114970182

IUPAC3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one
SMILESCc1cccc(C(=O)CCC2CCCC2)c1C
InChIInChI=1S/C16H22O/c1-12-6-5-9-15(13(12)2)16(17)11-10-14-7-3-4-8-14/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3
InChIKeyICOIXFSWDFWSIX-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.46
Rot. Bonds4

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

3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one (PubChem CID 114970182) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one
PubChem CID114970182
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one
SMILESCc1cccc(C(=O)CCC2CCCC2)c1C
InChIInChI=1S/C16H22O/c1-12-6-5-9-15(13(12)2)16(17)11-10-14-7-3-4-8-14/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3
InChIKeyICOIXFSWDFWSIX-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dimethylphenyl) 3-cyclopentylpropanoate
CID 91711335
1-(2,3-dimethylphenyl)-2-piperidin-3-ylethanone
CID 116564167
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one
CID 62548173
3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one
CID 114192891
1-(2,3-dimethylphenyl)-4-methylpentan-1-one
CID 62548356
1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238
1-[2-(2-aminoethyl)phenyl]-3-cyclopentylpropan-1-one
CID 114193576
1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one
CID 103023156
1-(2,3-dimethylphenyl)nonan-1-one
CID 112698774
3-cyclohexyl-1-(2-methoxy-3-pyridinyl)propan-1-one
CID 114192802
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one
CID 114970802
1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone
CID 103986180

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one (CID 114970182) is 3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one is Cc1cccc(C(=O)CCC2CCCC2)c1C.
What is the InChIKey of 3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one?
The InChIKey is ICOIXFSWDFWSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-12-6-5-9-15(13(12)2)16(17)11-10-14-7-3-4-8-14/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one?
3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one has a molecular weight of 230.35 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one is sourced from PubChem (CID 114970182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).