5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one

C36H36O3 — CID 54720589

IUPAC5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one
SMILESO=C1OC(CCc2ccccc2)(CCc2ccccc2)CC(O)=C1C(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C36H36O3/c37-33-27-36(25-23-29-15-7-2-8-16-29,26-24-30-17-9-3-10-18-30)39-35(38)34(33)32(31-19-11-4-12-20-31)22-21-28-13-5-1-6-14-28/h1-20,32,37H,21-27H2
InChIKeyFOBYUGMZEAUTQC-UHFFFAOYSA-N
MW516.68 g/mol
LogP8.17
Rot. Bonds11

About 5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one

5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one (PubChem CID 54720589) has the molecular formula C36H36O3 and a molecular weight of 516.68 g/mol. Its IUPAC name is 5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one.

Molecular Properties

Compound Name5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one
PubChem CID54720589
Molecular FormulaC36H36O3
Molecular Weight516.68 g/mol
Exact Mass516.27
IUPAC Name5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one
SMILESO=C1OC(CCc2ccccc2)(CCc2ccccc2)CC(O)=C1C(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C36H36O3/c37-33-27-36(25-23-29-15-7-2-8-16-29,26-24-30-17-9-3-10-18-30)39-35(38)34(33)32(31-19-11-4-12-20-31)22-21-28-13-5-1-6-14-28/h1-20,32,37H,21-27H2
InChIKeyFOBYUGMZEAUTQC-UHFFFAOYSA-N
XLogP8.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.68
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]methanesulfonamide
CID 59928682
N-[3-[1-[4-hydroxy-6-oxo-2,2-bis(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]pyrimidine-2-sulfonamide
CID 70080814
4-hydroxy-2,2-bis(2-methylpropyl)-5-(1-phenylpropyl)-3H-pyran-6-one
CID 54690998
2-[4-[1-[4-hydroxy-6-oxo-2,2-bis(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-1,3-thiazole-4-sulfonamide
CID 67674694
N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]-2,2-dimethylpropyl]phenyl]methanesulfonamide
CID 59928613
4-hydroxy-2-(2-methylpropyl)-5-(1-phenylpropyl)-2-propyl-3H-pyran-6-one
CID 142653653
benzyl N-[3-[1-[4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]ethyl]phenyl]carbamate
CID 59928487
5-[(3-aminophenyl)methyl]-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one
CID 54711644
5-[1-[4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]-2-phenyl-1,3-thiazole-4-sulfonamide
CID 67675005
N-[3-[1-[4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]quinoline-8-sulfonamide
CID 54688872
5-[1-[4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]-1-methyl-2-phenylimidazole-4-sulfonamide
CID 67675790
3-[2-[1-[4-hydroxy-6-oxo-2,2-bis(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]quinoline-2-sulfonamide
CID 67674711

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one?
The IUPAC name of 5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one (CID 54720589) is 5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one.
What is the SMILES notation for 5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one?
The canonical SMILES for 5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one is O=C1OC(CCc2ccccc2)(CCc2ccccc2)CC(O)=C1C(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one?
The InChIKey is FOBYUGMZEAUTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36O3/c37-33-27-36(25-23-29-15-7-2-8-16-29,26-24-30-17-9-3-10-18-30)39-35(38)34(33)32(31-19-11-4-12-20-31)22-21-28-13-5-1-6-14-28/h1-20,32,37H,21-27H2.
What are the key properties of 5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one?
5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one has a molecular weight of 516.68 g/mol, XLogP of 8.17, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one is sourced from PubChem (CID 54720589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).