oxiran-2-ylmethanol;phenylmethoxymethylbenzene

C17H20O3 — CID 87861777

IUPACoxiran-2-ylmethanol;phenylmethoxymethylbenzene
SMILESOCC1CO1.c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O.C3H6O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;4-1-3-2-5-3/h1-10H,11-12H2;3-4H,1-2H2
InChIKeySAVCSBDNYRPDQU-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.78
Rot. Bonds5

About oxiran-2-ylmethanol;phenylmethoxymethylbenzene

oxiran-2-ylmethanol;phenylmethoxymethylbenzene (PubChem CID 87861777) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is oxiran-2-ylmethanol;phenylmethoxymethylbenzene.

Molecular Properties

Compound Nameoxiran-2-ylmethanol;phenylmethoxymethylbenzene
PubChem CID87861777
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Nameoxiran-2-ylmethanol;phenylmethoxymethylbenzene
SMILESOCC1CO1.c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O.C3H6O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;4-1-3-2-5-3/h1-10H,11-12H2;3-4H,1-2H2
InChIKeySAVCSBDNYRPDQU-UHFFFAOYSA-N
XLogP2.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.78
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

ethoxymethylbenzene;oxiran-2-ylmethanol
CID 174298824
2-(chloromethyl)oxirane;phenylmethanol;2-(phenylmethoxymethyl)oxirane
CID 163898082
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
1-(oxiran-2-ylmethoxy)-3-phenylmethoxypropan-2-ol
CID 162405278
[4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol
CID 171373496
tris(2-ethyloxirane);tris(oxiran-2-ylmethanol);phenol
CID 159100623
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
CID 66734377
CID 66734377
[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol
CID 23452412
[(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol
CID 149442288
bicyclo[2.2.2]octa-1,3,5,7-tetraene;oxiran-2-ylmethanol
CID 23187370
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethanol;phenylmethoxymethylbenzene?
The IUPAC name of oxiran-2-ylmethanol;phenylmethoxymethylbenzene (CID 87861777) is oxiran-2-ylmethanol;phenylmethoxymethylbenzene.
What is the SMILES notation for oxiran-2-ylmethanol;phenylmethoxymethylbenzene?
The canonical SMILES for oxiran-2-ylmethanol;phenylmethoxymethylbenzene is OCC1CO1.c1ccc(COCc2ccccc2)cc1.
What is the InChIKey of oxiran-2-ylmethanol;phenylmethoxymethylbenzene?
The InChIKey is SAVCSBDNYRPDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.C3H6O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;4-1-3-2-5-3/h1-10H,11-12H2;3-4H,1-2H2.
What are the key properties of oxiran-2-ylmethanol;phenylmethoxymethylbenzene?
oxiran-2-ylmethanol;phenylmethoxymethylbenzene has a molecular weight of 272.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethanol;phenylmethoxymethylbenzene is sourced from PubChem (CID 87861777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).