2-methoxy-3-phenylselanyloxane

C12H16O2Se — CID 14136321

IUPAC2-methoxy-3-phenylselanyloxane
SMILESCOC1OCCCC1[Se]c1ccccc1
InChIInChI=1S/C12H16O2Se/c1-13-12-11(8-5-9-14-12)15-10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3
InChIKeySXLZUKIVWUJCGA-UHFFFAOYSA-N
MW271.22 g/mol
LogP1.59
Rot. Bonds3

About 2-methoxy-3-phenylselanyloxane

2-methoxy-3-phenylselanyloxane (PubChem CID 14136321) has the molecular formula C12H16O2Se and a molecular weight of 271.22 g/mol. Its IUPAC name is 2-methoxy-3-phenylselanyloxane.

Molecular Properties

Compound Name2-methoxy-3-phenylselanyloxane
PubChem CID14136321
Molecular FormulaC12H16O2Se
Molecular Weight271.22 g/mol
Exact Mass272.03
IUPAC Name2-methoxy-3-phenylselanyloxane
SMILESCOC1OCCCC1[Se]c1ccccc1
InChIInChI=1S/C12H16O2Se/c1-13-12-11(8-5-9-14-12)15-10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3
InChIKeySXLZUKIVWUJCGA-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-methoxy-3-phenylselanyloxane 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-methoxy-3-phenylselanyloxane?
The IUPAC name of 2-methoxy-3-phenylselanyloxane (CID 14136321) is 2-methoxy-3-phenylselanyloxane.
What is the SMILES notation for 2-methoxy-3-phenylselanyloxane?
The canonical SMILES for 2-methoxy-3-phenylselanyloxane is COC1OCCCC1[Se]c1ccccc1.
What is the InChIKey of 2-methoxy-3-phenylselanyloxane?
The InChIKey is SXLZUKIVWUJCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2Se/c1-13-12-11(8-5-9-14-12)15-10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3.
What are the key properties of 2-methoxy-3-phenylselanyloxane?
2-methoxy-3-phenylselanyloxane has a molecular weight of 271.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-phenylselanyloxane is sourced from PubChem (CID 14136321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).