4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol

C20H27O5P — CID 141142563

IUPAC4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol
SMILESCCOc1ccc(Cc2cc(CP(=O)(OCC)OCC)ccc2O)cc1
InChIInChI=1S/C20H27O5P/c1-4-23-19-10-7-16(8-11-19)13-18-14-17(9-12-20(18)21)15-26(22,24-5-2)25-6-3/h7-12,14,21H,4-6,13,15H2,1-3H3
InChIKeyMDBJRKXOFFCBIQ-UHFFFAOYSA-N
MW378.41 g/mol
LogP5.15
Rot. Bonds10

About 4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol

4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol (PubChem CID 141142563) has the molecular formula C20H27O5P and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol
PubChem CID141142563
Molecular FormulaC20H27O5P
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol
SMILESCCOc1ccc(Cc2cc(CP(=O)(OCC)OCC)ccc2O)cc1
InChIInChI=1S/C20H27O5P/c1-4-23-19-10-7-16(8-11-19)13-18-14-17(9-12-20(18)21)15-26(22,24-5-2)25-6-3/h7-12,14,21H,4-6,13,15H2,1-3H3
InChIKeyMDBJRKXOFFCBIQ-UHFFFAOYSA-N
XLogP5.15
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.41
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)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

1-(diethoxyphosphorylmethyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]benzene
CID 87704919
4-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol
CID 90747684
2-(2-diethoxyphosphorylethyl)-4-[(4-ethylphenyl)methyl]phenol
CID 86620240
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
4-[2,6-dichloro-4-[[ethoxy(ethyl)phosphoryl]oxymethyl]phenoxy]-2-[(4-fluorophenyl)methyl]phenol
CID 87087424
4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol
CID 58559829
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
[4-(diethoxyphosphorylmethoxy)phenyl]methanol
CID 23257899
ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid
CID 87671559
4-(diethoxyphosphorylmethyl)-2-fluoroaniline
CID 86697720
[4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate
CID 130408458
4-[(2S)-3-[[(2R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]propan-2-yl]amino]-2-hydroxypropoxy]-2-(hydroxymethyl)phenol
CID 57054399

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol?
The IUPAC name of 4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol (CID 141142563) is 4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol.
What is the SMILES notation for 4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol?
The canonical SMILES for 4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol is CCOc1ccc(Cc2cc(CP(=O)(OCC)OCC)ccc2O)cc1.
What is the InChIKey of 4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol?
The InChIKey is MDBJRKXOFFCBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O5P/c1-4-23-19-10-7-16(8-11-19)13-18-14-17(9-12-20(18)21)15-26(22,24-5-2)25-6-3/h7-12,14,21H,4-6,13,15H2,1-3H3.
What are the key properties of 4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol?
4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol has a molecular weight of 378.41 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol is sourced from PubChem (CID 141142563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).