2-(diphenylphosphorylmethyl)oxolane

C17H19O2P — CID 2879282

IUPAC2-(diphenylphosphorylmethyl)oxolane
SMILESO=P(CC1CCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19O2P/c18-20(14-15-8-7-13-19-15,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2
InChIKeyCOQZULOFUIUMCX-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.18
Rot. Bonds4

About 2-(diphenylphosphorylmethyl)oxolane

2-(diphenylphosphorylmethyl)oxolane (PubChem CID 2879282) has the molecular formula C17H19O2P and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(diphenylphosphorylmethyl)oxolane.

Molecular Properties

Compound Name2-(diphenylphosphorylmethyl)oxolane
PubChem CID2879282
Molecular FormulaC17H19O2P
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-(diphenylphosphorylmethyl)oxolane
SMILESO=P(CC1CCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19O2P/c18-20(14-15-8-7-13-19-15,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2
InChIKeyCOQZULOFUIUMCX-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(diphenylphosphorylmethyl)oxolane 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-(diphenylphosphorylmethyl)oxolane?
The IUPAC name of 2-(diphenylphosphorylmethyl)oxolane (CID 2879282) is 2-(diphenylphosphorylmethyl)oxolane.
What is the SMILES notation for 2-(diphenylphosphorylmethyl)oxolane?
The canonical SMILES for 2-(diphenylphosphorylmethyl)oxolane is O=P(CC1CCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(diphenylphosphorylmethyl)oxolane?
The InChIKey is COQZULOFUIUMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O2P/c18-20(14-15-8-7-13-19-15,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2.
What are the key properties of 2-(diphenylphosphorylmethyl)oxolane?
2-(diphenylphosphorylmethyl)oxolane has a molecular weight of 286.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diphenylphosphorylmethyl)oxolane is sourced from PubChem (CID 2879282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).