2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one

C17H22O3 — CID 74817578

IUPAC2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(CC(O)CCCCc2ccccc2)O1
InChIInChI=1S/C17H22O3/c18-15(13-16-11-6-12-17(19)20-16)10-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,12,15-16,18H,4-5,9-11,13H2
InChIKeyMSSPKNJNLJRUHR-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.02
Rot. Bonds7

About 2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one

2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one (PubChem CID 74817578) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one
PubChem CID74817578
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(CC(O)CCCCc2ccccc2)O1
InChIInChI=1S/C17H22O3/c18-15(13-16-11-6-12-17(19)20-16)10-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,12,15-16,18H,4-5,9-11,13H2
InChIKeyMSSPKNJNLJRUHR-UHFFFAOYSA-N
XLogP3.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one
CID 11461301
2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one
CID 74438088
(2R)-2-[(E,2R)-2,12-dihydroxynonadec-3-enyl]-2,3-dihydropyran-6-one
CID 122178737
(2S)-2-[(2R)-2-[3-(3,4-dihydroxyphenyl)propoxy]propyl]-2,3-dihydropyran-6-one
CID 134970390
[(E,2S)-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-4-phenylbut-3-en-2-yl] acetate
CID 11808267
4-hydroxy-5-(2,4,6,8,10-pentahydroxy-22-phenyldocosyl)cyclohex-2-en-1-one
CID 163031326
[(3R,5R,7R)-5,7-dihydroxy-10-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenyldec-9-en-3-yl] acetate
CID 162991391
15-phenylpentadecane-1,1-diol
CID 139927269
2,2-dimethyl-8-phenyloctan-4-ol
CID 164840740
(2R)-5-phenylpentane-1,2-diol
CID 102483629
2-(8-phenyloctyl)propanedioic acid
CID 20544236
(2S)-2-[(4R)-4-methoxynonyl]-2,3-dihydropyran-6-one
CID 52953296

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one?
The IUPAC name of 2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one (CID 74817578) is 2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one is O=C1C=CCC(CC(O)CCCCc2ccccc2)O1.
What is the InChIKey of 2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one?
The InChIKey is MSSPKNJNLJRUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c18-15(13-16-11-6-12-17(19)20-16)10-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,12,15-16,18H,4-5,9-11,13H2.
What are the key properties of 2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one?
2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one has a molecular weight of 274.36 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 74817578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).