1-diphenylphosphanylethane-1,1-diol

C14H15O2P — CID 151023834

IUPAC1-diphenylphosphanylethane-1,1-diol
SMILESCC(O)(O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15O2P/c1-14(15,16)17(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15-16H,1H3
InChIKeyLYQCICLFYRSFCU-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.78
Rot. Bonds3

About 1-diphenylphosphanylethane-1,1-diol

1-diphenylphosphanylethane-1,1-diol (PubChem CID 151023834) has the molecular formula C14H15O2P and a molecular weight of 246.25 g/mol. Its IUPAC name is 1-diphenylphosphanylethane-1,1-diol.

Molecular Properties

Compound Name1-diphenylphosphanylethane-1,1-diol
PubChem CID151023834
Molecular FormulaC14H15O2P
Molecular Weight246.25 g/mol
Exact Mass246.08
IUPAC Name1-diphenylphosphanylethane-1,1-diol
SMILESCC(O)(O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15O2P/c1-14(15,16)17(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15-16H,1H3
InChIKeyLYQCICLFYRSFCU-UHFFFAOYSA-N
XLogP1.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanylethane-1,1-diol?
The IUPAC name of 1-diphenylphosphanylethane-1,1-diol (CID 151023834) is 1-diphenylphosphanylethane-1,1-diol.
What is the SMILES notation for 1-diphenylphosphanylethane-1,1-diol?
The canonical SMILES for 1-diphenylphosphanylethane-1,1-diol is CC(O)(O)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphanylethane-1,1-diol?
The InChIKey is LYQCICLFYRSFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O2P/c1-14(15,16)17(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15-16H,1H3.
What are the key properties of 1-diphenylphosphanylethane-1,1-diol?
1-diphenylphosphanylethane-1,1-diol has a molecular weight of 246.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanylethane-1,1-diol is sourced from PubChem (CID 151023834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).