(2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one

C14H14O4 — CID 23757115

IUPAC(2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)O[C@@H](/C=C/c2ccccc2)[C@@H]1O
InChIInChI=1S/C14H14O4/c1-17-12-9-13(15)18-11(14(12)16)8-7-10-5-3-2-4-6-10/h2-9,11,14,16H,1H3/b8-7+/t11-,14-/m0/s1
InChIKeyUDDKTZFKFIZQAW-XNHDODSBSA-N
MW246.26 g/mol
LogP1.52
Rot. Bonds3

About (2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one

(2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one (PubChem CID 23757115) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
PubChem CID23757115
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name(2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)O[C@@H](/C=C/c2ccccc2)[C@@H]1O
InChIInChI=1S/C14H14O4/c1-17-12-9-13(15)18-11(14(12)16)8-7-10-5-3-2-4-6-10/h2-9,11,14,16H,1H3/b8-7+/t11-,14-/m0/s1
InChIKeyUDDKTZFKFIZQAW-XNHDODSBSA-N
XLogP1.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one (CID 23757115) is (2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one is COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)[C@@H]1O.
What is the InChIKey of (2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one?
The InChIKey is UDDKTZFKFIZQAW-XNHDODSBSA-N. The full InChI is InChI=1S/C14H14O4/c1-17-12-9-13(15)18-11(14(12)16)8-7-10-5-3-2-4-6-10/h2-9,11,14,16H,1H3/b8-7+/t11-,14-/m0/s1.
What are the key properties of (2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one?
(2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one has a molecular weight of 246.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 23757115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).