(4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one

C13H14O3 — CID 11106830

IUPAC(4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](/C=C/c2ccccc2)O1
InChIInChI=1S/C13H14O3/c14-11-8-12(16-13(15)9-11)7-6-10-4-2-1-3-5-10/h1-7,11-12,14H,8-9H2/b7-6+/t11-,12-/m1/s1
InChIKeyLATSAVAHDMSYNE-BYAJROORSA-N
MW218.25 g/mol
LogP1.77
Rot. Bonds2

About (4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one

(4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one (PubChem CID 11106830) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one.

Molecular Properties

Compound Name(4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
PubChem CID11106830
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](/C=C/c2ccccc2)O1
InChIInChI=1S/C13H14O3/c14-11-8-12(16-13(15)9-11)7-6-10-4-2-1-3-5-10/h1-7,11-12,14H,8-9H2/b7-6+/t11-,12-/m1/s1
InChIKeyLATSAVAHDMSYNE-BYAJROORSA-N
XLogP1.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-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

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one?
The IUPAC name of (4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one (CID 11106830) is (4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one.
What is the SMILES notation for (4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one?
The canonical SMILES for (4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one is O=C1C[C@H](O)C[C@@H](/C=C/c2ccccc2)O1.
What is the InChIKey of (4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one?
The InChIKey is LATSAVAHDMSYNE-BYAJROORSA-N. The full InChI is InChI=1S/C13H14O3/c14-11-8-12(16-13(15)9-11)7-6-10-4-2-1-3-5-10/h1-7,11-12,14H,8-9H2/b7-6+/t11-,12-/m1/s1.
What are the key properties of (4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one?
(4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one has a molecular weight of 218.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one is sourced from PubChem (CID 11106830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).