1-diphenylphosphoryl-1-phenylethanol

C20H19O2P — CID 155934602

IUPAC1-diphenylphosphoryl-1-phenylethanol
SMILESCC(O)(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19O2P/c1-20(21,17-11-5-2-6-12-17)23(22,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,21H,1H3
InChIKeyYPAJQDCAAMEVKX-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.87
Rot. Bonds4

About 1-diphenylphosphoryl-1-phenylethanol

1-diphenylphosphoryl-1-phenylethanol (PubChem CID 155934602) has the molecular formula C20H19O2P and a molecular weight of 322.34 g/mol. Its IUPAC name is 1-diphenylphosphoryl-1-phenylethanol.

Molecular Properties

Compound Name1-diphenylphosphoryl-1-phenylethanol
PubChem CID155934602
Molecular FormulaC20H19O2P
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name1-diphenylphosphoryl-1-phenylethanol
SMILESCC(O)(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19O2P/c1-20(21,17-11-5-2-6-12-17)23(22,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,21H,1H3
InChIKeyYPAJQDCAAMEVKX-UHFFFAOYSA-N
XLogP3.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(phenyl)phosphoryl]phenol
CID 127258156
(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol
CID 10522910
tert-butylbenzene;diphenylphosphorylformaldehyde
CID 174403578
1-[(1-amino-1-chloroethyl)-phenylphosphoryl]-1-chloroethanamine
CID 168876205
4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol
CID 177441543
[4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol
CID 153299511
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
[tert-butyl(methyl)phosphoryl]benzene
CID 12568654
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
[tert-butyl(methyl)phosphoryl]benzene
CID 12568653
(2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid
CID 154061892
phenyl(2-sulfanylpropan-2-yl)phosphinic acid
CID 785432

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-1-phenylethanol?
The IUPAC name of 1-diphenylphosphoryl-1-phenylethanol (CID 155934602) is 1-diphenylphosphoryl-1-phenylethanol.
What is the SMILES notation for 1-diphenylphosphoryl-1-phenylethanol?
The canonical SMILES for 1-diphenylphosphoryl-1-phenylethanol is CC(O)(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphoryl-1-phenylethanol?
The InChIKey is YPAJQDCAAMEVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O2P/c1-20(21,17-11-5-2-6-12-17)23(22,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,21H,1H3.
What are the key properties of 1-diphenylphosphoryl-1-phenylethanol?
1-diphenylphosphoryl-1-phenylethanol has a molecular weight of 322.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-1-phenylethanol is sourced from PubChem (CID 155934602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).