2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol

C21H29OP — CID 174539786

IUPAC2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol
SMILESCCc1ccc(Cc2ccc(O)c(CCP(CC)CC)c2)cc1
InChIInChI=1S/C21H29OP/c1-4-17-7-9-18(10-8-17)15-19-11-12-21(22)20(16-19)13-14-23(5-2)6-3/h7-12,16,22H,4-6,13-15H2,1-3H3
InChIKeyKHNMLYUAZCOAIS-UHFFFAOYSA-N
MW328.44 g/mol
LogP5.61
Rot. Bonds8

About 2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol

2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol (PubChem CID 174539786) has the molecular formula C21H29OP and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol.

Molecular Properties

Compound Name2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol
PubChem CID174539786
Molecular FormulaC21H29OP
Molecular Weight328.44 g/mol
Exact Mass328.20
IUPAC Name2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol
SMILESCCc1ccc(Cc2ccc(O)c(CCP(CC)CC)c2)cc1
InChIInChI=1S/C21H29OP/c1-4-17-7-9-18(10-8-17)15-19-11-12-21(22)20(16-19)13-14-23(5-2)6-3/h7-12,16,22H,4-6,13-15H2,1-3H3
InChIKeyKHNMLYUAZCOAIS-UHFFFAOYSA-N
XLogP5.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol 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

2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol
CID 121386327
2-(2-diethoxyphosphorylethyl)-4-[(4-ethylphenyl)methyl]phenol
CID 86620240
5-[(4-ethylphenyl)methyl]-2-methylphenol
CID 54074755
4-[[4-hydroxy-3-(2-methylpropyl)phenyl]methyl]-2-(2-methylpropyl)phenol
CID 22003355
2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol
CID 163931349
2-(ethoxymethyl)-4-[(4-hydroxyphenyl)methyl]phenol
CID 155543166
4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 3843205
4-nonyl-2-pentylphenol
CID 86162849
[4-[(4-ethylphenyl)methyl]phenyl]methanol
CID 141147432
2-ethyl-4-heptylphenol
CID 58289223
2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol
CID 142100963
4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 150105326

Frequently Asked Questions

What is the IUPAC name of 2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol?
The IUPAC name of 2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol (CID 174539786) is 2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol.
What is the SMILES notation for 2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol?
The canonical SMILES for 2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol is CCc1ccc(Cc2ccc(O)c(CCP(CC)CC)c2)cc1.
What is the InChIKey of 2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol?
The InChIKey is KHNMLYUAZCOAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29OP/c1-4-17-7-9-18(10-8-17)15-19-11-12-21(22)20(16-19)13-14-23(5-2)6-3/h7-12,16,22H,4-6,13-15H2,1-3H3.
What are the key properties of 2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol?
2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol has a molecular weight of 328.44 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diethylphosphanylethyl)-4-[(4-ethylphenyl)methyl]phenol is sourced from PubChem (CID 174539786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).