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

C19H18O3 — CID 73345350

IUPAC(4R,6S)-4-hydroxy-6-[(E)-2-(2-phenylphenyl)ethenyl]oxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](/C=C/c2ccccc2-c2ccccc2)O1
InChIInChI=1S/C19H18O3/c20-16-12-17(22-19(21)13-16)11-10-15-8-4-5-9-18(15)14-6-2-1-3-7-14/h1-11,16-17,20H,12-13H2/b11-10+/t16-,17-/m1/s1
InChIKeyYBRPATLKZYVIDP-XXRWXEQKSA-N
MW294.35 g/mol
LogP3.43
Rot. Bonds3

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

(4R,6S)-4-hydroxy-6-[(E)-2-(2-phenylphenyl)ethenyl]oxan-2-one (PubChem CID 73345350) 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-(2-phenylphenyl)ethenyl]oxan-2-one.

Molecular Properties

Compound Name(4R,6S)-4-hydroxy-6-[(E)-2-(2-phenylphenyl)ethenyl]oxan-2-one
PubChem CID73345350
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(4R,6S)-4-hydroxy-6-[(E)-2-(2-phenylphenyl)ethenyl]oxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](/C=C/c2ccccc2-c2ccccc2)O1
InChIInChI=1S/C19H18O3/c20-16-12-17(22-19(21)13-16)11-10-15-8-4-5-9-18(15)14-6-2-1-3-7-14/h1-11,16-17,20H,12-13H2/b11-10+/t16-,17-/m1/s1
InChIKeyYBRPATLKZYVIDP-XXRWXEQKSA-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

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-hydroxy-6-[(E)-2-(2-phenylphenyl)ethenyl]oxan-2-one?
The IUPAC name of (4R,6S)-4-hydroxy-6-[(E)-2-(2-phenylphenyl)ethenyl]oxan-2-one (CID 73345350) is (4R,6S)-4-hydroxy-6-[(E)-2-(2-phenylphenyl)ethenyl]oxan-2-one.
What is the SMILES notation for (4R,6S)-4-hydroxy-6-[(E)-2-(2-phenylphenyl)ethenyl]oxan-2-one?
The canonical SMILES for (4R,6S)-4-hydroxy-6-[(E)-2-(2-phenylphenyl)ethenyl]oxan-2-one is O=C1C[C@H](O)C[C@@H](/C=C/c2ccccc2-c2ccccc2)O1.
What is the InChIKey of (4R,6S)-4-hydroxy-6-[(E)-2-(2-phenylphenyl)ethenyl]oxan-2-one?
The InChIKey is YBRPATLKZYVIDP-XXRWXEQKSA-N. The full InChI is InChI=1S/C19H18O3/c20-16-12-17(22-19(21)13-16)11-10-15-8-4-5-9-18(15)14-6-2-1-3-7-14/h1-11,16-17,20H,12-13H2/b11-10+/t16-,17-/m1/s1.
What are the key properties of (4R,6S)-4-hydroxy-6-[(E)-2-(2-phenylphenyl)ethenyl]oxan-2-one?
(4R,6S)-4-hydroxy-6-[(E)-2-(2-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-(2-phenylphenyl)ethenyl]oxan-2-one is sourced from PubChem (CID 73345350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).