2-diphenylphosphoryl-4-ethoxyphenol

C20H19O3P — CID 175172979

IUPAC2-diphenylphosphoryl-4-ethoxyphenol
SMILESCCOc1ccc(O)c(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H19O3P/c1-2-23-16-13-14-19(21)20(15-16)24(22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,21H,2H2,1H3
InChIKeyWXFUXZOKKRPYBA-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.43
Rot. Bonds5

About 2-diphenylphosphoryl-4-ethoxyphenol

2-diphenylphosphoryl-4-ethoxyphenol (PubChem CID 175172979) has the molecular formula C20H19O3P and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-diphenylphosphoryl-4-ethoxyphenol.

Molecular Properties

Compound Name2-diphenylphosphoryl-4-ethoxyphenol
PubChem CID175172979
Molecular FormulaC20H19O3P
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name2-diphenylphosphoryl-4-ethoxyphenol
SMILESCCOc1ccc(O)c(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H19O3P/c1-2-23-16-13-14-19(21)20(15-16)24(22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,21H,2H2,1H3
InChIKeyWXFUXZOKKRPYBA-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-diphenylphosphoryl-4-ethoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-diphenylphosphoryl-3-ethoxybenzene
CID 148706452
2-diphenylphosphorylphenol
CID 626229
2-diphenylphosphoryl-1,4-dimethoxybenzene
CID 15129135
2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol
CID 102057029
6-ethoxy-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 101076460
4-ethoxy-2-methoxyphenol
CID 54107015
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid
CID 156787374
4-ethoxy-N'-(4-ethoxy-2-hydroxybenzoyl)-2-hydroxybenzohydrazide
CID 20557201
(4-ethoxyphenyl)phosphonic acid
CID 2779466
2-ethoxynaphthalene
CID 118978197
4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc
CID 88663945

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-4-ethoxyphenol?
The IUPAC name of 2-diphenylphosphoryl-4-ethoxyphenol (CID 175172979) is 2-diphenylphosphoryl-4-ethoxyphenol.
What is the SMILES notation for 2-diphenylphosphoryl-4-ethoxyphenol?
The canonical SMILES for 2-diphenylphosphoryl-4-ethoxyphenol is CCOc1ccc(O)c(P(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-diphenylphosphoryl-4-ethoxyphenol?
The InChIKey is WXFUXZOKKRPYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O3P/c1-2-23-16-13-14-19(21)20(15-16)24(22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,21H,2H2,1H3.
What are the key properties of 2-diphenylphosphoryl-4-ethoxyphenol?
2-diphenylphosphoryl-4-ethoxyphenol has a molecular weight of 338.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-4-ethoxyphenol is sourced from PubChem (CID 175172979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).