(2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol

C14H18O2 — CID 135446200

IUPAC(2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol
SMILESC=CC[C@H](O)[C@H](C)[C@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C14H18O2/c1-3-7-12(15)10(2)13-14(16-13)11-8-5-4-6-9-11/h3-6,8-10,12-15H,1,7H2,2H3/t10-,12-,13+,14-/m0/s1
InChIKeyBAVUDCWWXIHGGO-DEQVHRJGSA-N
MW218.30 g/mol
LogP2.70
Rot. Bonds5

About (2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol

(2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol (PubChem CID 135446200) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol
PubChem CID135446200
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol
SMILESC=CC[C@H](O)[C@H](C)[C@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C14H18O2/c1-3-7-12(15)10(2)13-14(16-13)11-8-5-4-6-9-11/h3-6,8-10,12-15H,1,7H2,2H3/t10-,12-,13+,14-/m0/s1
InChIKeyBAVUDCWWXIHGGO-DEQVHRJGSA-N
XLogP2.70
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.70
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

5-hydroxy-6-(3-phenyloxiran-2-yl)hept-2-enoic acid
CID 54192289
6-(3-phenyloxiran-2-yl)heptane-2,2,5-triol
CID 139803227
(1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol
CID 46863006
(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
CID 10631104
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
(1R)-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 10922889
[(2S,3R)-3-phenyloxiran-2-yl]methanediol
CID 15197389
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
(2R,3S)-2-phenylsulfanylhex-5-en-3-ol
CID 10679903
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
1-(3-phenyloxiran-2-yl)pentan-1-ol
CID 12642701
(1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol
CID 10989251

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol?
The IUPAC name of (2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol (CID 135446200) is (2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol.
What is the SMILES notation for (2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol?
The canonical SMILES for (2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol is C=CC[C@H](O)[C@H](C)[C@H]1O[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol?
The InChIKey is BAVUDCWWXIHGGO-DEQVHRJGSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-7-12(15)10(2)13-14(16-13)11-8-5-4-6-9-11/h3-6,8-10,12-15H,1,7H2,2H3/t10-,12-,13+,14-/m0/s1.
What are the key properties of (2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol?
(2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol has a molecular weight of 218.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol is sourced from PubChem (CID 135446200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).