[3-(4-ethylphenoxy)oxiran-2-yl]methanol

C11H14O3 — CID 174303126

IUPAC[3-(4-ethylphenoxy)oxiran-2-yl]methanol
SMILESCCc1ccc(OC2OC2CO)cc1
InChIInChI=1S/C11H14O3/c1-2-8-3-5-9(6-4-8)13-11-10(7-12)14-11/h3-6,10-12H,2,7H2,1H3
InChIKeyOEYIOKXMUOQRFO-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.35
Rot. Bonds4

About [3-(4-ethylphenoxy)oxiran-2-yl]methanol

[3-(4-ethylphenoxy)oxiran-2-yl]methanol (PubChem CID 174303126) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is [3-(4-ethylphenoxy)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[3-(4-ethylphenoxy)oxiran-2-yl]methanol
PubChem CID174303126
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name[3-(4-ethylphenoxy)oxiran-2-yl]methanol
SMILESCCc1ccc(OC2OC2CO)cc1
InChIInChI=1S/C11H14O3/c1-2-8-3-5-9(6-4-8)13-11-10(7-12)14-11/h3-6,10-12H,2,7H2,1H3
InChIKeyOEYIOKXMUOQRFO-UHFFFAOYSA-N
XLogP1.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-(4-propylphenoxy)oxane-3,4,5-triol
CID 124914124
2-(4-ethylphenoxy)-6-(iodomethyl)oxane-3,4,5-triol
CID 3336704
2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4,5-triol
CID 26917484
(3S,5S,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 90056515
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
2-(4-butoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 3830523
(3S,6R)-2-(hydroxymethyl)-6-[4-[4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]oxane-3,4,5-triol
CID 134423364
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-(4-hydroxyphenoxy)oxolane-3,4-diol
CID 54430133
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol;methanol
CID 90002408
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(4-prop-2-enylphenoxy)oxane-3,4,5-triol
CID 69322896
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol
CID 91934179

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylphenoxy)oxiran-2-yl]methanol?
The IUPAC name of [3-(4-ethylphenoxy)oxiran-2-yl]methanol (CID 174303126) is [3-(4-ethylphenoxy)oxiran-2-yl]methanol.
What is the SMILES notation for [3-(4-ethylphenoxy)oxiran-2-yl]methanol?
The canonical SMILES for [3-(4-ethylphenoxy)oxiran-2-yl]methanol is CCc1ccc(OC2OC2CO)cc1.
What is the InChIKey of [3-(4-ethylphenoxy)oxiran-2-yl]methanol?
The InChIKey is OEYIOKXMUOQRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-8-3-5-9(6-4-8)13-11-10(7-12)14-11/h3-6,10-12H,2,7H2,1H3.
What are the key properties of [3-(4-ethylphenoxy)oxiran-2-yl]methanol?
[3-(4-ethylphenoxy)oxiran-2-yl]methanol has a molecular weight of 194.23 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylphenoxy)oxiran-2-yl]methanol is sourced from PubChem (CID 174303126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).