2-benzyl-3-ethyloxiran-2-ol

C11H14O2 — CID 141291266

IUPAC2-benzyl-3-ethyloxiran-2-ol
SMILESCCC1OC1(O)Cc1ccccc1
InChIInChI=1S/C11H14O2/c1-2-10-11(12,13-10)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
InChIKeyASUOVFVNCBZXKV-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.73
Rot. Bonds3

About 2-benzyl-3-ethyloxiran-2-ol

2-benzyl-3-ethyloxiran-2-ol (PubChem CID 141291266) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-benzyl-3-ethyloxiran-2-ol.

Molecular Properties

Compound Name2-benzyl-3-ethyloxiran-2-ol
PubChem CID141291266
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-benzyl-3-ethyloxiran-2-ol
SMILESCCC1OC1(O)Cc1ccccc1
InChIInChI=1S/C11H14O2/c1-2-10-11(12,13-10)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
InChIKeyASUOVFVNCBZXKV-UHFFFAOYSA-N
XLogP1.73
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.73
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

3-benzyl-3-methyloxiran-2-amine
CID 130712281
(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 142629851
(3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride
CID 174679764
1-benzyl-3-methyl-2,4-dioxabicyclo[1.1.0]butane
CID 141419517
(2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol
CID 140974185
(3aR,5R,6R)-6-(benzylamino)-5-ethyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 174151379
2-benzyl-2-hexyl-1,3-dioxole
CID 141318556
[(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol
CID 71734462
(1R,5R,7R)-5-benzyl-7-ethyl-6,8-dioxabicyclo[3.2.1]octane
CID 101400360
4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 3897493
(2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 7302678
bis((2R,3S,5R,6S)-1-benzylcyclohexane-1,2,3,4,5,6-hexol);dihydrate
CID 139077583

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-ethyloxiran-2-ol?
The IUPAC name of 2-benzyl-3-ethyloxiran-2-ol (CID 141291266) is 2-benzyl-3-ethyloxiran-2-ol.
What is the SMILES notation for 2-benzyl-3-ethyloxiran-2-ol?
The canonical SMILES for 2-benzyl-3-ethyloxiran-2-ol is CCC1OC1(O)Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-ethyloxiran-2-ol?
The InChIKey is ASUOVFVNCBZXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-10-11(12,13-10)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3.
What are the key properties of 2-benzyl-3-ethyloxiran-2-ol?
2-benzyl-3-ethyloxiran-2-ol has a molecular weight of 178.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-ethyloxiran-2-ol is sourced from PubChem (CID 141291266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).