oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol

C14H20O5 — CID 87608532

IUPACoxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
SMILESC(OCC1CO1)C1CO1.C1CO1.Oc1ccccc1
InChIInChI=1S/C6H10O3.C6H6O.C2H4O/c1(5-3-8-5)7-2-6-4-9-6;7-6-4-2-1-3-5-6;1-2-3-1/h5-6H,1-4H2;1-5,7H;1-2H2
InChIKeyPWUFMGCHUIWISQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.21
Rot. Bonds4

About oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol

oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol (PubChem CID 87608532) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol.

Molecular Properties

Compound Nameoxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
PubChem CID87608532
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Nameoxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
SMILESC(OCC1CO1)C1CO1.C1CO1.Oc1ccccc1
InChIInChI=1S/C6H10O3.C6H6O.C2H4O/c1(5-3-8-5)7-2-6-4-9-6;7-6-4-2-1-3-5-6;1-2-3-1/h5-6H,1-4H2;1-5,7H;1-2H2
InChIKeyPWUFMGCHUIWISQ-UHFFFAOYSA-N
XLogP1.21
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol
CID 86652086
aniline;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158083266
bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88618664
2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane
CID 162075720
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
(3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174645892
1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87260520
4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 22107305
benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174448667
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
1-(oxiran-2-ylmethoxy)-3-phenylmethoxypropan-2-ol
CID 162405278

Frequently Asked Questions

What is the IUPAC name of oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol?
The IUPAC name of oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol (CID 87608532) is oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol.
What is the SMILES notation for oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol?
The canonical SMILES for oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol is C(OCC1CO1)C1CO1.C1CO1.Oc1ccccc1.
What is the InChIKey of oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol?
The InChIKey is PWUFMGCHUIWISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C6H6O.C2H4O/c1(5-3-8-5)7-2-6-4-9-6;7-6-4-2-1-3-5-6;1-2-3-1/h5-6H,1-4H2;1-5,7H;1-2H2.
What are the key properties of oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol?
oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol has a molecular weight of 268.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol is sourced from PubChem (CID 87608532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).