2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol

C24H21O3P — CID 135069089

IUPAC2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1OCCO
InChIInChI=1S/C24H21O3P/c25-17-18-27-24-22-14-8-7-9-19(22)15-16-23(24)28(26,20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-16,25H,17-18H2
InChIKeyRBLURUQBZBJQNL-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.85
Rot. Bonds6

About 2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol

2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol (PubChem CID 135069089) has the molecular formula C24H21O3P and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol.

Molecular Properties

Compound Name2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol
PubChem CID135069089
Molecular FormulaC24H21O3P
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC Name2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1OCCO
InChIInChI=1S/C24H21O3P/c25-17-18-27-24-22-14-8-7-9-19(22)15-16-23(24)28(26,20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-16,25H,17-18H2
InChIKeyRBLURUQBZBJQNL-UHFFFAOYSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
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 2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol?
The IUPAC name of 2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol (CID 135069089) is 2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol.
What is the SMILES notation for 2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol?
The canonical SMILES for 2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol is O=P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1OCCO.
What is the InChIKey of 2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol?
The InChIKey is RBLURUQBZBJQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21O3P/c25-17-18-27-24-22-14-8-7-9-19(22)15-16-23(24)28(26,20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-16,25H,17-18H2.
What are the key properties of 2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol?
2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol has a molecular weight of 388.40 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol is sourced from PubChem (CID 135069089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).