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

C13H14O3 — CID 10465961

IUPAC(4S,6R)-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-/m0/s1
InChIKeyLATSAVAHDMSYNE-KZQRZKTQSA-N
MW218.25 g/mol
LogP1.77
Rot. Bonds2

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

(4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one (PubChem CID 10465961) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one.

Molecular Properties

Compound Name(4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
PubChem CID10465961
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(4S,6R)-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-/m0/s1
InChIKeyLATSAVAHDMSYNE-KZQRZKTQSA-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

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Related Compounds

4-hydroxy-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]oxan-2-one
CID 70432531
(1R,5R,7R)-7-(2-phenylethenyl)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 146001300
4-hydroxy-6-[(E)-2-(4-phenyl-3-pyridinyl)ethenyl]oxan-2-one
CID 143655792
2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one
CID 138968854
5,5-difluoro-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
CID 56840412
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
(3S)-3-(2-phenylethenyl)-3,4-dihydroisochromen-1-one
CID 162808864
(4S,6R)-6-[(E)-2-[2-(4-fluorophenyl)-5,5-dimethyl-4-phenylcyclopenta-1,3-dien-1-yl]ethenyl]-4-hydroxyoxan-2-one
CID 88615917
(4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
CID 57119414
(4R,6S)-6-[(E)-2-(6,8-difluoro-4,7-diphenoxyquinolin-3-yl)ethenyl]-4-hydroxyoxan-2-one
CID 25007794
(3aS,4R,6aS)-4-[(E)-2-phenylethenyl]-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione
CID 102049388
(4S,6R)-6-[2-[4-(4-fluorophenyl)-2,2-dimethylthiochromen-3-yl]ethenyl]-4-hydroxyoxan-2-one
CID 70360455

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one?
The IUPAC name of (4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one (CID 10465961) is (4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one.
What is the SMILES notation for (4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one?
The canonical SMILES for (4S,6R)-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 (4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one?
The InChIKey is LATSAVAHDMSYNE-KZQRZKTQSA-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-/m0/s1.
What are the key properties of (4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one?
(4S,6R)-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 (4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one is sourced from PubChem (CID 10465961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).