2-[(4-methylphenoxy)methyl]oxirane

C10H12O2 — CID 16606

IUPAC2-[(4-methylphenoxy)methyl]oxirane
SMILESCc1ccc(OCC2CO2)cc1
InChIInChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)11-6-10-7-12-10/h2-5,10H,6-7H2,1H3
InChIKeyCUFXMPWHOWYNSO-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.77
Rot. Bonds3

About 2-[(4-methylphenoxy)methyl]oxirane

2-[(4-methylphenoxy)methyl]oxirane (PubChem CID 16606) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]oxirane
PubChem CID16606
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-[(4-methylphenoxy)methyl]oxirane
SMILESCc1ccc(OCC2CO2)cc1
InChIInChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)11-6-10-7-12-10/h2-5,10H,6-7H2,1H3
InChIKeyCUFXMPWHOWYNSO-UHFFFAOYSA-N
XLogP1.77
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4-methylphenoxy)methyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]oxirane?
The IUPAC name of 2-[(4-methylphenoxy)methyl]oxirane (CID 16606) is 2-[(4-methylphenoxy)methyl]oxirane.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]oxirane?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]oxirane is Cc1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]oxirane?
The InChIKey is CUFXMPWHOWYNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)11-6-10-7-12-10/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-[(4-methylphenoxy)methyl]oxirane?
2-[(4-methylphenoxy)methyl]oxirane has a molecular weight of 164.20 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]oxirane is sourced from PubChem (CID 16606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).