(E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol

C12H14O2 — CID 10797753

IUPAC(E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol
SMILESC[C@H]1O[C@@H]1[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C12H14O2/c1-9-12(14-9)11(13)8-7-10-5-3-2-4-6-10/h2-9,11-13H,1H3/b8-7+/t9-,11-,12+/m1/s1
InChIKeyZCFQZBBZOYWJCQ-NNZAVJKRSA-N
MW190.24 g/mol
LogP1.85
Rot. Bonds3

About (E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol

(E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol (PubChem CID 10797753) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol
PubChem CID10797753
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol
SMILESC[C@H]1O[C@@H]1[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C12H14O2/c1-9-12(14-9)11(13)8-7-10-5-3-2-4-6-10/h2-9,11-13H,1H3/b8-7+/t9-,11-,12+/m1/s1
InChIKeyZCFQZBBZOYWJCQ-NNZAVJKRSA-N
XLogP1.85
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
CID 12035677
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
3-phenylprop-2-ene-1,1-diol
CID 54432533
(Z)-1-(3-methyloxiran-2-yl)but-2-en-1-ol
CID 156679542
(E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol
CID 101174954
(2S)-2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one
CID 102159683
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
3-phenyl-1-[(3R)-pyrrolidin-3-yl]prop-2-en-1-ol
CID 175283380
(3S,5S,6S)-3-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]-5,6-bis(4-methoxyphenyl)-1,4-dioxan-2-one
CID 11224621

Frequently Asked Questions

What is the IUPAC name of (E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol?
The IUPAC name of (E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol (CID 10797753) is (E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol.
What is the SMILES notation for (E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol?
The canonical SMILES for (E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol is C[C@H]1O[C@@H]1[C@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol?
The InChIKey is ZCFQZBBZOYWJCQ-NNZAVJKRSA-N. The full InChI is InChI=1S/C12H14O2/c1-9-12(14-9)11(13)8-7-10-5-3-2-4-6-10/h2-9,11-13H,1H3/b8-7+/t9-,11-,12+/m1/s1.
What are the key properties of (E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol?
(E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol has a molecular weight of 190.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol is sourced from PubChem (CID 10797753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).