2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol

C18H20O4 — CID 86652086

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol
SMILESC(OCC1CO1)C1CO1.Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C12H10O.C6H10O3/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;1(5-3-8-5)7-2-6-4-9-6/h1-9,13H;5-6H,1-4H2
InChIKeyUHLYCUNVFDGYNL-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.86
Rot. Bonds5

About 2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol

2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol (PubChem CID 86652086) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol
PubChem CID86652086
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol
SMILESC(OCC1CO1)C1CO1.Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C12H10O.C6H10O3/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;1(5-3-8-5)7-2-6-4-9-6/h1-9,13H;5-6H,1-4H2
InChIKeyUHLYCUNVFDGYNL-UHFFFAOYSA-N
XLogP2.86
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol (CID 86652086) is 2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol is C(OCC1CO1)C1CO1.Oc1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol?
The InChIKey is UHLYCUNVFDGYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C6H10O3/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;1(5-3-8-5)7-2-6-4-9-6/h1-9,13H;5-6H,1-4H2.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol?
2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol has a molecular weight of 300.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol is sourced from PubChem (CID 86652086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).