1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one

C16H22O — CID 24726480

IUPAC1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)C2CCCC2)cc1C
InChIInChI=1S/C16H22O/c1-12-7-8-14(11-13(12)2)9-10-16(17)15-5-3-4-6-15/h7-8,11,15H,3-6,9-10H2,1-2H3
InChIKeyGBEFSEYOBFGUCV-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.00
Rot. Bonds4

About 1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one

1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one (PubChem CID 24726480) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one
PubChem CID24726480
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)C2CCCC2)cc1C
InChIInChI=1S/C16H22O/c1-12-7-8-14(11-13(12)2)9-10-16(17)15-5-3-4-6-15/h7-8,11,15H,3-6,9-10H2,1-2H3
InChIKeyGBEFSEYOBFGUCV-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one
CID 58762696
3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one
CID 103038591
3-(4-chloro-3-fluorophenyl)-1-cyclopentylpropan-1-one
CID 107882824
1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 84613853
1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane
CID 143103497
1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one
CID 24726322
1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one
CID 24726014
1-cyclohexyl-3-(2-methylphenyl)propan-1-one
CID 24725660
4-(3,4-dimethylphenyl)butan-2-one;propane
CID 143070567
1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one
CID 24726531
1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone
CID 115582250
methyl 1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxylate
CID 100539386

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one?
The IUPAC name of 1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one (CID 24726480) is 1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one.
What is the SMILES notation for 1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one?
The canonical SMILES for 1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one is Cc1ccc(CCC(=O)C2CCCC2)cc1C.
What is the InChIKey of 1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one?
The InChIKey is GBEFSEYOBFGUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-12-7-8-14(11-13(12)2)9-10-16(17)15-5-3-4-6-15/h7-8,11,15H,3-6,9-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one?
1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one has a molecular weight of 230.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one is sourced from PubChem (CID 24726480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).