2-(cyclopentylmethyl)-4-hydroxy-2-phenyl-3H-pyran-6-one

C17H20O3 — CID 54690707

IUPAC2-(cyclopentylmethyl)-4-hydroxy-2-phenyl-3H-pyran-6-one
SMILESO=C1C=C(O)CC(CC2CCCC2)(c2ccccc2)O1
InChIInChI=1S/C17H20O3/c18-15-10-16(19)20-17(12-15,11-13-6-4-5-7-13)14-8-2-1-3-9-14/h1-3,8-10,13,18H,4-7,11-12H2
InChIKeyLUQSZGJFVAYSEF-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.85
Rot. Bonds3

About 2-(cyclopentylmethyl)-4-hydroxy-2-phenyl-3H-pyran-6-one

2-(cyclopentylmethyl)-4-hydroxy-2-phenyl-3H-pyran-6-one (PubChem CID 54690707) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-4-hydroxy-2-phenyl-3H-pyran-6-one.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-4-hydroxy-2-phenyl-3H-pyran-6-one
PubChem CID54690707
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name2-(cyclopentylmethyl)-4-hydroxy-2-phenyl-3H-pyran-6-one
SMILESO=C1C=C(O)CC(CC2CCCC2)(c2ccccc2)O1
InChIInChI=1S/C17H20O3/c18-15-10-16(19)20-17(12-15,11-13-6-4-5-7-13)14-8-2-1-3-9-14/h1-3,8-10,13,18H,4-7,11-12H2
InChIKeyLUQSZGJFVAYSEF-UHFFFAOYSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one
CID 54682301
4-hydroxy-2-pentyl-2-phenyl-3H-pyran-6-one
CID 54687158
4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one
CID 70113074
5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one
CID 177220587
4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one
CID 151815271
(5R)-4-hydroxy-5-methyl-5-phenylfuran-2-one
CID 69070002
2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid
CID 79429733
2-(3,3-dimethyl-1-phenylbutan-2-yl)-2-ethyl-4-hydroxy-3H-pyran-6-one
CID 173319078
5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione
CID 118599453
4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one
CID 54682274
2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one
CID 114671506
1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 62740447

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-4-hydroxy-2-phenyl-3H-pyran-6-one?
The IUPAC name of 2-(cyclopentylmethyl)-4-hydroxy-2-phenyl-3H-pyran-6-one (CID 54690707) is 2-(cyclopentylmethyl)-4-hydroxy-2-phenyl-3H-pyran-6-one.
What is the SMILES notation for 2-(cyclopentylmethyl)-4-hydroxy-2-phenyl-3H-pyran-6-one?
The canonical SMILES for 2-(cyclopentylmethyl)-4-hydroxy-2-phenyl-3H-pyran-6-one is O=C1C=C(O)CC(CC2CCCC2)(c2ccccc2)O1.
What is the InChIKey of 2-(cyclopentylmethyl)-4-hydroxy-2-phenyl-3H-pyran-6-one?
The InChIKey is LUQSZGJFVAYSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c18-15-10-16(19)20-17(12-15,11-13-6-4-5-7-13)14-8-2-1-3-9-14/h1-3,8-10,13,18H,4-7,11-12H2.
What are the key properties of 2-(cyclopentylmethyl)-4-hydroxy-2-phenyl-3H-pyran-6-one?
2-(cyclopentylmethyl)-4-hydroxy-2-phenyl-3H-pyran-6-one has a molecular weight of 272.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-4-hydroxy-2-phenyl-3H-pyran-6-one is sourced from PubChem (CID 54690707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).