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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Related Compounds

2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane
CID 23403229
3-methylpentan-3-yl(diphenyl)phosphane
CID 23414394
2,2-dimethylpropane;triphenylphosphane
CID 143924519
bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane)
CID 139238791
[tert-butyl(dimethyl)silyl]-diphenylphosphane
CID 11185679
(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421
2-diphenylphosphanyl-2-methylpentanoic acid
CID 174669720
phenyl(prop-1-en-2-yl)phosphinous acid
CID 167178997
tert-butyl-phenyl-pyridin-3-ylphosphane
CID 25185996
tert-butyl-phenyl-pyridin-3-ylphosphane
CID 25185721
diphenyl(2-thiophen-2-ylpropan-2-yl)phosphane
CID 175478785
2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane
CID 23403234

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).