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

C11H12O2 — CID 10631104

IUPAC(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
SMILESC=C[C@H](O)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C11H12O2/c1-2-9(12)11-10(13-11)8-6-4-3-5-7-8/h2-7,9-12H,1H2/t9-,10+,11+/m0/s1
InChIKeyFUYNCVSPBVYCDQ-HBNTYKKESA-N
MW176.21 g/mol
LogP1.67
Rot. Bonds3

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

(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol (PubChem CID 10631104) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
PubChem CID10631104
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
SMILESC=C[C@H](O)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C11H12O2/c1-2-9(12)11-10(13-11)8-6-4-3-5-7-8/h2-7,9-12H,1H2/t9-,10+,11+/m0/s1
InChIKeyFUYNCVSPBVYCDQ-HBNTYKKESA-N
XLogP1.67
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R)-3-phenyloxiran-2-yl]methanediol
CID 15197389
(E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
CID 12035677
(1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol
CID 46863006
(2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol
CID 135446200
(1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol
CID 10989251
(1R)-1-[(4S,5S)-5-[(S)-hydroxy(phenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 71559956
1-(3-phenyloxiran-2-yl)pentan-1-ol
CID 12642701
1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol
CID 101353403
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol
CID 170851181
(2R,3S,4S,5R)-2,3,4,5-tetraphenyloxolane
CID 102288914
(1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol
CID 165413358

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol?
The IUPAC name of (1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol (CID 10631104) is (1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol?
The canonical SMILES for (1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol is C=C[C@H](O)[C@H]1O[C@@H]1c1ccccc1.
What is the InChIKey of (1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol?
The InChIKey is FUYNCVSPBVYCDQ-HBNTYKKESA-N. The full InChI is InChI=1S/C11H12O2/c1-2-9(12)11-10(13-11)8-6-4-3-5-7-8/h2-7,9-12H,1H2/t9-,10+,11+/m0/s1.
What are the key properties of (1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol?
(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol has a molecular weight of 176.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 10631104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).