[(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol

C15H20O3 — CID 10890262

IUPAC[(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol
SMILESC=C(CCOCc1ccccc1)C[C@H]1O[C@@H]1CO
InChIInChI=1S/C15H20O3/c1-12(9-14-15(10-16)18-14)7-8-17-11-13-5-3-2-4-6-13/h2-6,14-16H,1,7-11H2/t14-,15-/m1/s1
InChIKeyCAECXHIHADHOSP-HUUCEWRRSA-N
MW248.32 g/mol
LogP2.30
Rot. Bonds8

About [(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol

[(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol (PubChem CID 10890262) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is [(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol
PubChem CID10890262
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name[(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol
SMILESC=C(CCOCc1ccccc1)C[C@H]1O[C@@H]1CO
InChIInChI=1S/C15H20O3/c1-12(9-14-15(10-16)18-14)7-8-17-11-13-5-3-2-4-6-13/h2-6,14-16H,1,7-11H2/t14-,15-/m1/s1
InChIKeyCAECXHIHADHOSP-HUUCEWRRSA-N
XLogP2.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
CID 90672360
[(2R,3S)-3-[(E)-5-phenylmethoxypent-2-en-2-yl]oxiran-2-yl]methanol
CID 15881326
(2R,3S,6R,7S)-2-(hydroxymethyl)-6-phenylmethoxy-7-(2-phenylmethoxyethyl)oxepan-3-ol
CID 122207088
(2S,3R)-3-(2-phenylmethoxyethyl)oxirane-2-carbaldehyde
CID 131847944
methyl 5-methylidene-2-oxo-7-phenylmethoxyheptanoate
CID 146165810
[(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]methanol
CID 11053700
(1S)-1-deuterio-2-phenylmethoxyethanol
CID 136712283
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
[(2R,3S,6S,8R,9S)-3,9-dimethyl-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-2-yl]methanol
CID 11371480
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[[3-(phenylmethoxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenyl]methoxy]oxane-3,4,5-triol
CID 102068966

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol (CID 10890262) is [(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol is C=C(CCOCc1ccccc1)C[C@H]1O[C@@H]1CO.
What is the InChIKey of [(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol?
The InChIKey is CAECXHIHADHOSP-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H20O3/c1-12(9-14-15(10-16)18-14)7-8-17-11-13-5-3-2-4-6-13/h2-6,14-16H,1,7-11H2/t14-,15-/m1/s1.
What are the key properties of [(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol?
[(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol has a molecular weight of 248.32 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-(2-methylidene-4-phenylmethoxybutyl)oxiran-2-yl]methanol is sourced from PubChem (CID 10890262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).