2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol

C15H20O4 — CID 19736108

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol
SMILESC(OCC1CO1)C1CO1.C=CCc1ccccc1O
InChIInChI=1S/C9H10O.C6H10O3/c1-2-5-8-6-3-4-7-9(8)10;1(5-3-8-5)7-2-6-4-9-6/h2-4,6-7,10H,1,5H2;5-6H,1-4H2
InChIKeyDFONOHKVYVBUDF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.92
Rot. Bonds6

About 2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol

2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol (PubChem CID 19736108) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol
PubChem CID19736108
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol
SMILESC(OCC1CO1)C1CO1.C=CCc1ccccc1O
InChIInChI=1S/C9H10O.C6H10O3/c1-2-5-8-6-3-4-7-9(8)10;1(5-3-8-5)7-2-6-4-9-6/h2-4,6-7,10H,1,5H2;5-6H,1-4H2
InChIKeyDFONOHKVYVBUDF-UHFFFAOYSA-N
XLogP1.92
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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;2-prop-2-enylphenol?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol (CID 19736108) is 2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol is C(OCC1CO1)C1CO1.C=CCc1ccccc1O.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol?
The InChIKey is DFONOHKVYVBUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C6H10O3/c1-2-5-8-6-3-4-7-9(8)10;1(5-3-8-5)7-2-6-4-9-6/h2-4,6-7,10H,1,5H2;5-6H,1-4H2.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol?
2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol has a molecular weight of 264.32 g/mol, XLogP of 1.92, 6 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;2-prop-2-enylphenol is sourced from PubChem (CID 19736108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).