2-diphenylphosphoryl-1-phenylethanol

C20H19O2P — CID 4094879

IUPAC2-diphenylphosphoryl-1-phenylethanol
SMILESO=P(CC(O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19O2P/c21-20(17-10-4-1-5-11-17)16-23(22,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21H,16H2
InChIKeyXDIRSGUCYQWFJK-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.73
Rot. Bonds5

About 2-diphenylphosphoryl-1-phenylethanol

2-diphenylphosphoryl-1-phenylethanol (PubChem CID 4094879) has the molecular formula C20H19O2P and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-diphenylphosphoryl-1-phenylethanol.

Molecular Properties

Compound Name2-diphenylphosphoryl-1-phenylethanol
PubChem CID4094879
Molecular FormulaC20H19O2P
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name2-diphenylphosphoryl-1-phenylethanol
SMILESO=P(CC(O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19O2P/c21-20(17-10-4-1-5-11-17)16-23(22,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21H,16H2
InChIKeyXDIRSGUCYQWFJK-UHFFFAOYSA-N
XLogP3.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-1-phenylethanol?
The IUPAC name of 2-diphenylphosphoryl-1-phenylethanol (CID 4094879) is 2-diphenylphosphoryl-1-phenylethanol.
What is the SMILES notation for 2-diphenylphosphoryl-1-phenylethanol?
The canonical SMILES for 2-diphenylphosphoryl-1-phenylethanol is O=P(CC(O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-1-phenylethanol?
The InChIKey is XDIRSGUCYQWFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O2P/c21-20(17-10-4-1-5-11-17)16-23(22,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21H,16H2.
What are the key properties of 2-diphenylphosphoryl-1-phenylethanol?
2-diphenylphosphoryl-1-phenylethanol has a molecular weight of 322.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-1-phenylethanol is sourced from PubChem (CID 4094879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).