[(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol

C15H20O3 — CID 15881326

IUPAC[(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol
SMILESC/C(=C\CCOCc1ccccc1)[C@@H]1O[C@@H]1CO
InChIInChI=1S/C15H20O3/c1-12(15-14(10-16)18-15)6-5-9-17-11-13-7-3-2-4-8-13/h2-4,6-8,14-16H,5,9-11H2,1H3/b12-6+/t14-,15+/m1/s1
InChIKeyZNWASZBVAHUKSZ-KOHOMEMWSA-N
MW248.32 g/mol
LogP2.30
Rot. Bonds7

About [(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol

[(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol (PubChem CID 15881326) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is [(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol
PubChem CID15881326
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name[(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol
SMILESC/C(=C\CCOCc1ccccc1)[C@@H]1O[C@@H]1CO
InChIInChI=1S/C15H20O3/c1-12(15-14(10-16)18-15)6-5-9-17-11-13-7-3-2-4-8-13/h2-4,6-8,14-16H,5,9-11H2,1H3/b12-6+/t14-,15+/m1/s1
InChIKeyZNWASZBVAHUKSZ-KOHOMEMWSA-N
XLogP2.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S)-3-(3-phenylmethoxyprop-1-en-2-yl)oxiran-2-yl]methanol
CID 11746139
1-[(2S,3R)-3-(3-phenylmethoxypropyl)oxiran-2-yl]ethanone
CID 135054286
ethyl 2-methyl-5-phenylmethoxypent-2-enoate
CID 71337058
[(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol
CID 10890262
ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate
CID 11265152
2-iodoethoxymethylbenzene
CID 10355314
[(Z)-pent-3-enoxy]methylbenzene
CID 13428364
(2S,3R)-3-(2-phenylmethoxyethyl)oxirane-2-carbaldehyde
CID 131847944
2-methyl-6-phenylmethoxyhex-2-enoic acid
CID 66912433
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
methyl (2S,3R)-3-(phenylmethoxymethyl)oxirane-2-carboxylate
CID 101113540
[(E)-4-phenyldec-3-enoxy]methylbenzene
CID 11141829

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol (CID 15881326) is [(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol is C/C(=C\CCOCc1ccccc1)[C@@H]1O[C@@H]1CO.
What is the InChIKey of [(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol?
The InChIKey is ZNWASZBVAHUKSZ-KOHOMEMWSA-N. The full InChI is InChI=1S/C15H20O3/c1-12(15-14(10-16)18-15)6-5-9-17-11-13-7-3-2-4-8-13/h2-4,6-8,14-16H,5,9-11H2,1H3/b12-6+/t14-,15+/m1/s1.
What are the key properties of [(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol?
[(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol has a molecular weight of 248.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol is sourced from PubChem (CID 15881326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).