[3-(phenoxymethyl)oxiran-2-yl]methanol

C10H12O3 — CID 174606706

IUPAC[3-(phenoxymethyl)oxiran-2-yl]methanol
SMILESOCC1OC1COc1ccccc1
InChIInChI=1S/C10H12O3/c11-6-9-10(13-9)7-12-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChIKeyTXSOBNRMKUIXMG-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.83
Rot. Bonds4

About [3-(phenoxymethyl)oxiran-2-yl]methanol

[3-(phenoxymethyl)oxiran-2-yl]methanol (PubChem CID 174606706) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is [3-(phenoxymethyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[3-(phenoxymethyl)oxiran-2-yl]methanol
PubChem CID174606706
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name[3-(phenoxymethyl)oxiran-2-yl]methanol
SMILESOCC1OC1COc1ccccc1
InChIInChI=1S/C10H12O3/c11-6-9-10(13-9)7-12-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChIKeyTXSOBNRMKUIXMG-UHFFFAOYSA-N
XLogP0.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.83
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

2-(phenoxymethyl)-3-prop-2-enyloxirane
CID 174763273
(2R,3S,4R,5R)-2-(hydroxymethyl)-6-(2-phenoxyethyl)oxane-3,4,5-triol
CID 147784913
(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenoxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol
CID 22873514
2-(phenoxymethyl)oxane-3,4-diol
CID 171557855
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
2-pentadec-8-enyl-3-(phenoxymethyl)oxirane
CID 54155804
(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
CID 70003357
(2S,3S)-2-(1-adamantyl)-3-(phenoxymethyl)oxirane
CID 146037741
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
cyclopropylmethoxybenzene
CID 12712156
(2R,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10332525
(2S,3R,4S,5S,6R)-6-(phenoxymethyl)-3,4,5-tris(phenylmethoxy)oxane-2-thiol
CID 87877807

Frequently Asked Questions

What is the IUPAC name of [3-(phenoxymethyl)oxiran-2-yl]methanol?
The IUPAC name of [3-(phenoxymethyl)oxiran-2-yl]methanol (CID 174606706) is [3-(phenoxymethyl)oxiran-2-yl]methanol.
What is the SMILES notation for [3-(phenoxymethyl)oxiran-2-yl]methanol?
The canonical SMILES for [3-(phenoxymethyl)oxiran-2-yl]methanol is OCC1OC1COc1ccccc1.
What is the InChIKey of [3-(phenoxymethyl)oxiran-2-yl]methanol?
The InChIKey is TXSOBNRMKUIXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-6-9-10(13-9)7-12-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2.
What are the key properties of [3-(phenoxymethyl)oxiran-2-yl]methanol?
[3-(phenoxymethyl)oxiran-2-yl]methanol has a molecular weight of 180.20 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(phenoxymethyl)oxiran-2-yl]methanol is sourced from PubChem (CID 174606706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).