1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one

C17H22O — CID 62078829

IUPAC1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one
SMILESCCC(C)C(C(=O)C1=CCCC1)c1ccccc1
InChIInChI=1S/C17H22O/c1-3-13(2)16(14-9-5-4-6-10-14)17(18)15-11-7-8-12-15/h4-6,9-11,13,16H,3,7-8,12H2,1-2H3
InChIKeySBXWHUKBJOCRSJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.50
Rot. Bonds5

About 1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one

1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one (PubChem CID 62078829) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one
PubChem CID62078829
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one
SMILESCCC(C)C(C(=O)C1=CCCC1)c1ccccc1
InChIInChI=1S/C17H22O/c1-3-13(2)16(14-9-5-4-6-10-14)17(18)15-11-7-8-12-15/h4-6,9-11,13,16H,3,7-8,12H2,1-2H3
InChIKeySBXWHUKBJOCRSJ-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one
CID 102652750
3-methyl-2-phenyl-1-(1H-pyrrol-2-yl)pentan-1-one
CID 63750151
1-(cyclopenten-1-yl)-2,2-diethoxyethanone
CID 55269182
tert-butyl 3-methyl-2-phenylpentanoate
CID 63896641
1-(3-chlorothiophen-2-yl)-3-methyl-2-phenylpentan-1-one
CID 80530061
1-(3,5-dimethylthiophen-2-yl)-3-methyl-2-phenylpentan-1-one
CID 81156104
5-methyl-4-phenylhept-1-yn-3-one
CID 114978498
1-cyclohexyl-4-methyl-3-phenylhexan-2-one
CID 114967641
1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one
CID 63498003
3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one
CID 63927480
3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 114972283
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one
CID 113218827

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one?
The IUPAC name of 1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one (CID 62078829) is 1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one.
What is the SMILES notation for 1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one?
The canonical SMILES for 1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one is CCC(C)C(C(=O)C1=CCCC1)c1ccccc1.
What is the InChIKey of 1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one?
The InChIKey is SBXWHUKBJOCRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-3-13(2)16(14-9-5-4-6-10-14)17(18)15-11-7-8-12-15/h4-6,9-11,13,16H,3,7-8,12H2,1-2H3.
What are the key properties of 1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one?
1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one has a molecular weight of 242.36 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one is sourced from PubChem (CID 62078829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).