(1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol

C14H18O2 — CID 46863006

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

About (1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol

(1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol (PubChem CID 46863006) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol.

Molecular Properties

Compound Name(1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol
PubChem CID46863006
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol
SMILESC=C[C@H](C)C[C@@H](O)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C14H18O2/c1-3-10(2)9-12(15)14-13(16-14)11-7-5-4-6-8-11/h3-8,10,12-15H,1,9H2,2H3/t10-,12+,13+,14+/m0/s1
InChIKeyVGWFHLAJONHTEF-IGHBBLSQSA-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

(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
CID 10631104
(2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol
CID 135446200
1-(3-phenyloxiran-2-yl)pentan-1-ol
CID 12642701
[(2S,3R)-3-phenyloxiran-2-yl]methanediol
CID 15197389
(1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol
CID 165413358
5-hydroxy-6-(3-phenyloxiran-2-yl)hept-2-enoic acid
CID 54192289
(1R)-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 10922889
6-(3-phenyloxiran-2-yl)heptane-2,2,5-triol
CID 139803227
(1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol
CID 10989251
(E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
CID 12035677
[(2S)-2-methylbut-3-enyl]-triphenylphosphanium
CID 10904649
(2S,3S)-3-methyl-1-phenylpent-4-en-2-ol
CID 101389726

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol?
The IUPAC name of (1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol (CID 46863006) is (1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol.
What is the SMILES notation for (1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol?
The canonical SMILES for (1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol is C=C[C@H](C)C[C@@H](O)[C@H]1O[C@@H]1c1ccccc1.
What is the InChIKey of (1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol?
The InChIKey is VGWFHLAJONHTEF-IGHBBLSQSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-10(2)9-12(15)14-13(16-14)11-7-5-4-6-8-11/h3-8,10,12-15H,1,9H2,2H3/t10-,12+,13+,14+/m0/s1.
What are the key properties of (1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol?
(1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-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 (1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol is sourced from PubChem (CID 46863006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).