2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene

C15H16FO3P — CID 72735167

IUPAC2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene
SMILESCOP(=O)(Cc1cc(F)ccc1-c1ccccc1)OC
InChIInChI=1S/C15H16FO3P/c1-18-20(17,19-2)11-13-10-14(16)8-9-15(13)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyVLYHQKNWBVQNRH-UHFFFAOYSA-N
MW294.26 g/mol
LogP4.48
Rot. Bonds5

About 2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene

2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene (PubChem CID 72735167) has the molecular formula C15H16FO3P and a molecular weight of 294.26 g/mol. Its IUPAC name is 2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene.

Molecular Properties

Compound Name2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene
PubChem CID72735167
Molecular FormulaC15H16FO3P
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC Name2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene
SMILESCOP(=O)(Cc1cc(F)ccc1-c1ccccc1)OC
InChIInChI=1S/C15H16FO3P/c1-18-20(17,19-2)11-13-10-14(16)8-9-15(13)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyVLYHQKNWBVQNRH-UHFFFAOYSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene 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-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene?
The IUPAC name of 2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene (CID 72735167) is 2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene.
What is the SMILES notation for 2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene?
The canonical SMILES for 2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene is COP(=O)(Cc1cc(F)ccc1-c1ccccc1)OC.
What is the InChIKey of 2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene?
The InChIKey is VLYHQKNWBVQNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FO3P/c1-18-20(17,19-2)11-13-10-14(16)8-9-15(13)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3.
What are the key properties of 2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene?
2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene has a molecular weight of 294.26 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene is sourced from PubChem (CID 72735167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).