[1-methoxyethyl(phenyl)phosphoryl]benzene

C15H17O2P — CID 11129037

IUPAC[1-methoxyethyl(phenyl)phosphoryl]benzene
SMILESCOC(C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17O2P/c1-13(17-2)18(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyDMQIMZHESVGADX-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.99
Rot. Bonds4

About [1-methoxyethyl(phenyl)phosphoryl]benzene

[1-methoxyethyl(phenyl)phosphoryl]benzene (PubChem CID 11129037) has the molecular formula C15H17O2P and a molecular weight of 260.27 g/mol. Its IUPAC name is [1-methoxyethyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[1-methoxyethyl(phenyl)phosphoryl]benzene
PubChem CID11129037
Molecular FormulaC15H17O2P
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name[1-methoxyethyl(phenyl)phosphoryl]benzene
SMILESCOC(C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17O2P/c1-13(17-2)18(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyDMQIMZHESVGADX-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-methoxyethyl(phenyl)phosphoryl]benzene 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 [1-methoxyethyl(phenyl)phosphoryl]benzene?
The IUPAC name of [1-methoxyethyl(phenyl)phosphoryl]benzene (CID 11129037) is [1-methoxyethyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [1-methoxyethyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [1-methoxyethyl(phenyl)phosphoryl]benzene is COC(C)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-methoxyethyl(phenyl)phosphoryl]benzene?
The InChIKey is DMQIMZHESVGADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O2P/c1-13(17-2)18(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3.
What are the key properties of [1-methoxyethyl(phenyl)phosphoryl]benzene?
[1-methoxyethyl(phenyl)phosphoryl]benzene has a molecular weight of 260.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxyethyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 11129037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).