5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one

C23H26O3 — CID 54721641

IUPAC5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one
SMILESCC(C)CCC1(c2ccccc2)CC(O)=C(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C23H26O3/c1-17(2)13-14-23(19-11-7-4-8-12-19)16-21(24)20(22(25)26-23)15-18-9-5-3-6-10-18/h3-12,17,24H,13-16H2,1-2H3
InChIKeyQKIJZIHLXFSLPF-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.32
Rot. Bonds6

About 5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one

5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one (PubChem CID 54721641) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one.

Molecular Properties

Compound Name5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one
PubChem CID54721641
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one
SMILESCC(C)CCC1(c2ccccc2)CC(O)=C(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C23H26O3/c1-17(2)13-14-23(19-11-7-4-8-12-19)16-21(24)20(22(25)26-23)15-18-9-5-3-6-10-18/h3-12,17,24H,13-16H2,1-2H3
InChIKeyQKIJZIHLXFSLPF-UHFFFAOYSA-N
XLogP5.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-5-[(2-methylphenyl)methyl]-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one
CID 54721609
4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one
CID 54721778
2-hexyl-4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-3H-pyran-6-one
CID 54688990
5-[[3-(chloromethyl)phenyl]methyl]-4-hydroxy-2,2-diphenyl-3H-pyran-6-one
CID 54721563
4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one
CID 67792206
5-[(3-aminophenyl)methyl]-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one
CID 54711644
4-hydroxy-2-phenyl-2-(2-phenylethyl)-5-thiophen-2-ylsulfanyl-3H-pyran-6-one
CID 54688112
4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one
CID 54682301
4-[4-hydroxy-6-oxo-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]-N-methyl-N-(2-phenylethyl)butanamide
CID 54690972
5-benzylsulfanyl-4-hydroxy-2-(2-phenylethyl)-2-pyridin-4-yl-3H-pyran-6-one
CID 54721710
4-[4-hydroxy-6-oxo-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]-N-phenylbutanamide
CID 54690976
5-benzylsulfanyl-4-hydroxy-2-phenyl-2-[2-(1H-pyrrol-2-yl)ethyl]-3H-pyran-6-one
CID 54721637

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one?
The IUPAC name of 5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one (CID 54721641) is 5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one.
What is the SMILES notation for 5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one?
The canonical SMILES for 5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one is CC(C)CCC1(c2ccccc2)CC(O)=C(Cc2ccccc2)C(=O)O1.
What is the InChIKey of 5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one?
The InChIKey is QKIJZIHLXFSLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O3/c1-17(2)13-14-23(19-11-7-4-8-12-19)16-21(24)20(22(25)26-23)15-18-9-5-3-6-10-18/h3-12,17,24H,13-16H2,1-2H3.
What are the key properties of 5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one?
5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one has a molecular weight of 350.46 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one is sourced from PubChem (CID 54721641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).