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

C19H18O3 — CID 73349956

IUPAC(4R,6S)-4-hydroxy-6-[(E)-2-(4-phenylphenyl)ethenyl]oxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](/C=C/c2ccc(-c3ccccc3)cc2)O1
InChIInChI=1S/C19H18O3/c20-17-12-18(22-19(21)13-17)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-11,17-18,20H,12-13H2/b11-8+/t17-,18-/m1/s1
InChIKeyBVPUXTZTKVLZNE-BBUPJTBGSA-N
MW294.35 g/mol
LogP3.43
Rot. Bonds3

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

(4R,6S)-4-hydroxy-6-[(E)-2-(4-phenylphenyl)ethenyl]oxan-2-one (PubChem CID 73349956) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (4R,6S)-4-hydroxy-6-[(E)-2-(4-phenylphenyl)ethenyl]oxan-2-one.

Molecular Properties

Compound Name(4R,6S)-4-hydroxy-6-[(E)-2-(4-phenylphenyl)ethenyl]oxan-2-one
PubChem CID73349956
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(4R,6S)-4-hydroxy-6-[(E)-2-(4-phenylphenyl)ethenyl]oxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](/C=C/c2ccc(-c3ccccc3)cc2)O1
InChIInChI=1S/C19H18O3/c20-17-12-18(22-19(21)13-17)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-11,17-18,20H,12-13H2/b11-8+/t17-,18-/m1/s1
InChIKeyBVPUXTZTKVLZNE-BBUPJTBGSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R,6S)-4-hydroxy-6-[(E)-2-(4-phenylphenyl)ethenyl]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-(4-phenylphenyl)ethenyl]oxan-2-one?
The IUPAC name of (4R,6S)-4-hydroxy-6-[(E)-2-(4-phenylphenyl)ethenyl]oxan-2-one (CID 73349956) is (4R,6S)-4-hydroxy-6-[(E)-2-(4-phenylphenyl)ethenyl]oxan-2-one.
What is the SMILES notation for (4R,6S)-4-hydroxy-6-[(E)-2-(4-phenylphenyl)ethenyl]oxan-2-one?
The canonical SMILES for (4R,6S)-4-hydroxy-6-[(E)-2-(4-phenylphenyl)ethenyl]oxan-2-one is O=C1C[C@H](O)C[C@@H](/C=C/c2ccc(-c3ccccc3)cc2)O1.
What is the InChIKey of (4R,6S)-4-hydroxy-6-[(E)-2-(4-phenylphenyl)ethenyl]oxan-2-one?
The InChIKey is BVPUXTZTKVLZNE-BBUPJTBGSA-N. The full InChI is InChI=1S/C19H18O3/c20-17-12-18(22-19(21)13-17)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-11,17-18,20H,12-13H2/b11-8+/t17-,18-/m1/s1.
What are the key properties of (4R,6S)-4-hydroxy-6-[(E)-2-(4-phenylphenyl)ethenyl]oxan-2-one?
(4R,6S)-4-hydroxy-6-[(E)-2-(4-phenylphenyl)ethenyl]oxan-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.43, 3 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-(4-phenylphenyl)ethenyl]oxan-2-one is sourced from PubChem (CID 73349956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).