2-methyl-2-phenoxyoxirane

C9H10O2 — CID 19360932

IUPAC2-methyl-2-phenoxyoxirane
SMILESCC1(Oc2ccccc2)CO1
InChIInChI=1S/C9H10O2/c1-9(7-10-9)11-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyDBKRDIJLZXEUEF-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.81
Rot. Bonds2

About 2-methyl-2-phenoxyoxirane

2-methyl-2-phenoxyoxirane (PubChem CID 19360932) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methyl-2-phenoxyoxirane.

Molecular Properties

Compound Name2-methyl-2-phenoxyoxirane
PubChem CID19360932
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-methyl-2-phenoxyoxirane
SMILESCC1(Oc2ccccc2)CO1
InChIInChI=1S/C9H10O2/c1-9(7-10-9)11-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyDBKRDIJLZXEUEF-UHFFFAOYSA-N
XLogP1.81
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-2-phenoxyoxirane?
The IUPAC name of 2-methyl-2-phenoxyoxirane (CID 19360932) is 2-methyl-2-phenoxyoxirane.
What is the SMILES notation for 2-methyl-2-phenoxyoxirane?
The canonical SMILES for 2-methyl-2-phenoxyoxirane is CC1(Oc2ccccc2)CO1.
What is the InChIKey of 2-methyl-2-phenoxyoxirane?
The InChIKey is DBKRDIJLZXEUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-9(7-10-9)11-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 2-methyl-2-phenoxyoxirane?
2-methyl-2-phenoxyoxirane has a molecular weight of 150.18 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenoxyoxirane is sourced from PubChem (CID 19360932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).