3-diethoxyphosphanylphenol

C10H15O3P — CID 101285892

IUPAC3-diethoxyphosphanylphenol
SMILESCCOP(OCC)c1cccc(O)c1
InChIInChI=1S/C10H15O3P/c1-3-12-14(13-4-2)10-7-5-6-9(11)8-10/h5-8,11H,3-4H2,1-2H3
InChIKeyBCOFFMMWDYPQDR-UHFFFAOYSA-N
MW214.20 g/mol
LogP2.40
Rot. Bonds5

About 3-diethoxyphosphanylphenol

3-diethoxyphosphanylphenol (PubChem CID 101285892) has the molecular formula C10H15O3P and a molecular weight of 214.20 g/mol. Its IUPAC name is 3-diethoxyphosphanylphenol.

Molecular Properties

Compound Name3-diethoxyphosphanylphenol
PubChem CID101285892
Molecular FormulaC10H15O3P
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name3-diethoxyphosphanylphenol
SMILESCCOP(OCC)c1cccc(O)c1
InChIInChI=1S/C10H15O3P/c1-3-12-14(13-4-2)10-7-5-6-9(11)8-10/h5-8,11H,3-4H2,1-2H3
InChIKeyBCOFFMMWDYPQDR-UHFFFAOYSA-N
XLogP2.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphanylphenol?
The IUPAC name of 3-diethoxyphosphanylphenol (CID 101285892) is 3-diethoxyphosphanylphenol.
What is the SMILES notation for 3-diethoxyphosphanylphenol?
The canonical SMILES for 3-diethoxyphosphanylphenol is CCOP(OCC)c1cccc(O)c1.
What is the InChIKey of 3-diethoxyphosphanylphenol?
The InChIKey is BCOFFMMWDYPQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O3P/c1-3-12-14(13-4-2)10-7-5-6-9(11)8-10/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 3-diethoxyphosphanylphenol?
3-diethoxyphosphanylphenol has a molecular weight of 214.20 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphanylphenol is sourced from PubChem (CID 101285892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).