(E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol

C17H16O2 — CID 12035677

IUPAC(E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
SMILESO[C@H](/C=C/c1ccccc1)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C17H16O2/c18-15(12-11-13-7-3-1-4-8-13)17-16(19-17)14-9-5-2-6-10-14/h1-12,15-18H/b12-11+/t15-,16-,17-/m1/s1
InChIKeySATFHNVWXCAZPI-FZGYYKRHSA-N
MW252.31 g/mol
LogP3.20
Rot. Bonds4

About (E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol

(E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol (PubChem CID 12035677) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
PubChem CID12035677
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
SMILESO[C@H](/C=C/c1ccccc1)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C17H16O2/c18-15(12-11-13-7-3-1-4-8-13)17-16(19-17)14-9-5-2-6-10-14/h1-12,15-18H/b12-11+/t15-,16-,17-/m1/s1
InChIKeySATFHNVWXCAZPI-FZGYYKRHSA-N
XLogP3.20
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol
CID 10797753
(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
CID 10631104
[(2S,3R)-3-phenyloxiran-2-yl]methanediol
CID 15197389
3-phenylprop-2-ene-1,1-diol
CID 54432533
(1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol
CID 10989251
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(2S)-2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one
CID 102159683
(3S,5S,6S)-3-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]-5,6-bis(4-methoxyphenyl)-1,4-dioxan-2-one
CID 11224621
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
3-phenyl-1-[(3R)-pyrrolidin-3-yl]prop-2-en-1-ol
CID 175283380
(1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol
CID 46863006

Frequently Asked Questions

What is the IUPAC name of (E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol?
The IUPAC name of (E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol (CID 12035677) is (E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol is O[C@H](/C=C/c1ccccc1)[C@H]1O[C@@H]1c1ccccc1.
What is the InChIKey of (E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol?
The InChIKey is SATFHNVWXCAZPI-FZGYYKRHSA-N. The full InChI is InChI=1S/C17H16O2/c18-15(12-11-13-7-3-1-4-8-13)17-16(19-17)14-9-5-2-6-10-14/h1-12,15-18H/b12-11+/t15-,16-,17-/m1/s1.
What are the key properties of (E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol?
(E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol has a molecular weight of 252.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 12035677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).