(2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol

C19H20O3 — CID 11702098

IUPAC(2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol
SMILESOC[C@H]1O[C@H](c2cccc(/C=C/c3ccccc3)c2)C[C@@H]1O
InChIInChI=1S/C19H20O3/c20-13-19-17(21)12-18(22-19)16-8-4-7-15(11-16)10-9-14-5-2-1-3-6-14/h1-11,17-21H,12-13H2/b10-9+/t17-,18-,19+/m0/s1
InChIKeyJJXIRPHWVAQMAG-FGIUYIEZSA-N
MW296.37 g/mol
LogP3.04
Rot. Bonds4

About (2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol

(2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol (PubChem CID 11702098) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol
PubChem CID11702098
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol
SMILESOC[C@H]1O[C@H](c2cccc(/C=C/c3ccccc3)c2)C[C@@H]1O
InChIInChI=1S/C19H20O3/c20-13-19-17(21)12-18(22-19)16-8-4-7-15(11-16)10-9-14-5-2-1-3-6-14/h1-11,17-21H,12-13H2/b10-9+/t17-,18-,19+/m0/s1
InChIKeyJJXIRPHWVAQMAG-FGIUYIEZSA-N
XLogP3.04
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol?
The IUPAC name of (2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol (CID 11702098) is (2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol is OC[C@H]1O[C@H](c2cccc(/C=C/c3ccccc3)c2)C[C@@H]1O.
What is the InChIKey of (2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol?
The InChIKey is JJXIRPHWVAQMAG-FGIUYIEZSA-N. The full InChI is InChI=1S/C19H20O3/c20-13-19-17(21)12-18(22-19)16-8-4-7-15(11-16)10-9-14-5-2-1-3-6-14/h1-11,17-21H,12-13H2/b10-9+/t17-,18-,19+/m0/s1.
What are the key properties of (2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol?
(2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol has a molecular weight of 296.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol is sourced from PubChem (CID 11702098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).