1-(2-dimethoxyphosphorylphenyl)-2-phenylbenzene

C20H19O3P — CID 91424309

IUPAC1-(2-dimethoxyphosphorylphenyl)-2-phenylbenzene
SMILESCOP(=O)(OC)c1ccccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C20H19O3P/c1-22-24(21,23-2)20-15-9-8-14-19(20)18-13-7-6-12-17(18)16-10-4-3-5-11-16/h3-15H,1-2H3
InChIKeyLWSCGHAJMNWBFS-UHFFFAOYSA-N
MW338.34 g/mol
LogP5.13
Rot. Bonds5

About 1-(2-dimethoxyphosphorylphenyl)-2-phenylbenzene

1-(2-dimethoxyphosphorylphenyl)-2-phenylbenzene (PubChem CID 91424309) has the molecular formula C20H19O3P and a molecular weight of 338.34 g/mol. Its IUPAC name is 1-(2-dimethoxyphosphorylphenyl)-2-phenylbenzene.

Molecular Properties

Compound Name1-(2-dimethoxyphosphorylphenyl)-2-phenylbenzene
PubChem CID91424309
Molecular FormulaC20H19O3P
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name1-(2-dimethoxyphosphorylphenyl)-2-phenylbenzene
SMILESCOP(=O)(OC)c1ccccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C20H19O3P/c1-22-24(21,23-2)20-15-9-8-14-19(20)18-13-7-6-12-17(18)16-10-4-3-5-11-16/h3-15H,1-2H3
InChIKeyLWSCGHAJMNWBFS-UHFFFAOYSA-N
XLogP5.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.34
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-dimethoxyphosphorylphenyl)-2-phenylbenzene?
The IUPAC name of 1-(2-dimethoxyphosphorylphenyl)-2-phenylbenzene (CID 91424309) is 1-(2-dimethoxyphosphorylphenyl)-2-phenylbenzene.
What is the SMILES notation for 1-(2-dimethoxyphosphorylphenyl)-2-phenylbenzene?
The canonical SMILES for 1-(2-dimethoxyphosphorylphenyl)-2-phenylbenzene is COP(=O)(OC)c1ccccc1-c1ccccc1-c1ccccc1.
What is the InChIKey of 1-(2-dimethoxyphosphorylphenyl)-2-phenylbenzene?
The InChIKey is LWSCGHAJMNWBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O3P/c1-22-24(21,23-2)20-15-9-8-14-19(20)18-13-7-6-12-17(18)16-10-4-3-5-11-16/h3-15H,1-2H3.
What are the key properties of 1-(2-dimethoxyphosphorylphenyl)-2-phenylbenzene?
1-(2-dimethoxyphosphorylphenyl)-2-phenylbenzene has a molecular weight of 338.34 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dimethoxyphosphorylphenyl)-2-phenylbenzene is sourced from PubChem (CID 91424309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).