4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one

C15H16O3 — CID 129362698

IUPAC4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one
SMILESCC[C@@H](Cc1ccccc1)c1cc(O)cc(=O)o1
InChIInChI=1S/C15H16O3/c1-2-12(8-11-6-4-3-5-7-11)14-9-13(16)10-15(17)18-14/h3-7,9-10,12,16H,2,8H2,1H3/t12-/m0/s1
InChIKeyKQBQQCNEFJMCES-LBPRGKRZSA-N
MW244.29 g/mol
LogP3.08
Rot. Bonds4

About 4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one

4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one (PubChem CID 129362698) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one
PubChem CID129362698
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one
SMILESCC[C@@H](Cc1ccccc1)c1cc(O)cc(=O)o1
InChIInChI=1S/C15H16O3/c1-2-12(8-11-6-4-3-5-7-11)14-9-13(16)10-15(17)18-14/h3-7,9-10,12,16H,2,8H2,1H3/t12-/m0/s1
InChIKeyKQBQQCNEFJMCES-LBPRGKRZSA-N
XLogP3.08
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-6-(1-phenylbutan-2-yl)pyran-2-one
CID 54689207
6-[1-(4-bromophenyl)-3-cyclopropylpropan-2-yl]-4-hydroxypyran-2-one
CID 142653673
4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one
CID 54720680
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one
CID 54681451
2,2-dimethyl-6-[(2R)-1-phenylbutan-2-yl]-1,3-dioxin-4-one
CID 11780245
2-(1-phenylbutan-2-yl)-1,3-benzoxazole
CID 166439592
4-hydroxy-6-(1-naphthalen-2-ylbutan-2-yl)-3-(1-phenylpropyl)pyran-2-one
CID 54720642
6-[1-(4-bromophenyl)butan-2-yl]-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one
CID 54720598
3-[[5-(aminomethyl)thiophen-2-yl]-cyclopropylmethyl]-4-hydroxy-6-(1-phenylbutan-2-yl)pyran-2-one
CID 54732001
6-[1-(3-bromophenyl)butan-2-yl]-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one
CID 54720648
4-bromo-N-[cyclopropyl-[4-hydroxy-2-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]-phenylmethyl]benzenesulfonamide
CID 174300735

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one?
The IUPAC name of 4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one (CID 129362698) is 4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one?
The canonical SMILES for 4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one is CC[C@@H](Cc1ccccc1)c1cc(O)cc(=O)o1.
What is the InChIKey of 4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one?
The InChIKey is KQBQQCNEFJMCES-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16O3/c1-2-12(8-11-6-4-3-5-7-11)14-9-13(16)10-15(17)18-14/h3-7,9-10,12,16H,2,8H2,1H3/t12-/m0/s1.
What are the key properties of 4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one?
4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one has a molecular weight of 244.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one is sourced from PubChem (CID 129362698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).