3-diethoxyphosphorylphenol

C10H15O4P — CID 2773717

IUPAC3-diethoxyphosphorylphenol
SMILESCCOP(=O)(OCC)c1cccc(O)c1
InChIInChI=1S/C10H15O4P/c1-3-13-15(12,14-4-2)10-7-5-6-9(11)8-10/h5-8,11H,3-4H2,1-2H3
InChIKeyNXNQMKQLDMKXGY-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.28
Rot. Bonds5

About 3-diethoxyphosphorylphenol

3-diethoxyphosphorylphenol (PubChem CID 2773717) has the molecular formula C10H15O4P and a molecular weight of 230.20 g/mol. Its IUPAC name is 3-diethoxyphosphorylphenol.

Molecular Properties

Compound Name3-diethoxyphosphorylphenol
PubChem CID2773717
Molecular FormulaC10H15O4P
Molecular Weight230.20 g/mol
Exact Mass230.07
IUPAC Name3-diethoxyphosphorylphenol
SMILESCCOP(=O)(OCC)c1cccc(O)c1
InChIInChI=1S/C10H15O4P/c1-3-13-15(12,14-4-2)10-7-5-6-9(11)8-10/h5-8,11H,3-4H2,1-2H3
InChIKeyNXNQMKQLDMKXGY-UHFFFAOYSA-N
XLogP2.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-diethoxyphosphorylphenol 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

Phenyl phosphate
CID 12793
Dibutyl phenyl phosphate
CID 17312
Phosphoric acid, diphenyl ester
CID 13282
Diphenyl methylphosphonate
CID 82027
Methyl diphenyl phosphate
CID 8291
Dietholate
CID 36106
Butyl diphenyl phosphate
CID 17682
Phenoxy(phenyl)phosphinic acid
CID 230483
(4-Hydroxyphenyl)phosphonic acid
CID 214694
Phenyl propan-2-yl hydrogen phosphate
CID 93246
Formaldehyde, reaction products with Bu alcohol and phenol
CID 175684
p-Diethoxyphosphorylphenol
CID 2773718

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphorylphenol?
The IUPAC name of 3-diethoxyphosphorylphenol (CID 2773717) is 3-diethoxyphosphorylphenol.
What is the SMILES notation for 3-diethoxyphosphorylphenol?
The canonical SMILES for 3-diethoxyphosphorylphenol is CCOP(=O)(OCC)c1cccc(O)c1.
What is the InChIKey of 3-diethoxyphosphorylphenol?
The InChIKey is NXNQMKQLDMKXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O4P/c1-3-13-15(12,14-4-2)10-7-5-6-9(11)8-10/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 3-diethoxyphosphorylphenol?
3-diethoxyphosphorylphenol has a molecular weight of 230.20 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphorylphenol is sourced from PubChem (CID 2773717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).