4-diethoxyphosphorylphenol

C10H15O4P — CID 2773718

IUPAC4-diethoxyphosphorylphenol
SMILESCCOP(=O)(OCC)c1ccc(O)cc1
InChIInChI=1S/C10H15O4P/c1-3-13-15(12,14-4-2)10-7-5-9(11)6-8-10/h5-8,11H,3-4H2,1-2H3
InChIKeyRKDQFNLPHKSPGL-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.28
Rot. Bonds5

About 4-diethoxyphosphorylphenol

4-diethoxyphosphorylphenol (PubChem CID 2773718) has the molecular formula C10H15O4P and a molecular weight of 230.20 g/mol. Its IUPAC name is 4-diethoxyphosphorylphenol.

Molecular Properties

Compound Name4-diethoxyphosphorylphenol
PubChem CID2773718
Molecular FormulaC10H15O4P
Molecular Weight230.20 g/mol
Exact Mass230.07
IUPAC Name4-diethoxyphosphorylphenol
SMILESCCOP(=O)(OCC)c1ccc(O)cc1
InChIInChI=1S/C10H15O4P/c1-3-13-15(12,14-4-2)10-7-5-9(11)6-8-10/h5-8,11H,3-4H2,1-2H3
InChIKeyRKDQFNLPHKSPGL-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphorylphenol?
The IUPAC name of 4-diethoxyphosphorylphenol (CID 2773718) is 4-diethoxyphosphorylphenol.
What is the SMILES notation for 4-diethoxyphosphorylphenol?
The canonical SMILES for 4-diethoxyphosphorylphenol is CCOP(=O)(OCC)c1ccc(O)cc1.
What is the InChIKey of 4-diethoxyphosphorylphenol?
The InChIKey is RKDQFNLPHKSPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O4P/c1-3-13-15(12,14-4-2)10-7-5-9(11)6-8-10/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 4-diethoxyphosphorylphenol?
4-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 4-diethoxyphosphorylphenol is sourced from PubChem (CID 2773718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).