1-dibenzhydryloxyphosphorylethanol

C28H27O4P — CID 13148202

IUPAC1-dibenzhydryloxyphosphorylethanol
SMILESCC(O)P(=O)(OC(c1ccccc1)c1ccccc1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27O4P/c1-22(29)33(30,31-27(23-14-6-2-7-15-23)24-16-8-3-9-17-24)32-28(25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,27-29H,1H3
InChIKeyBLCIRSQAZVXPTJ-UHFFFAOYSA-N
MW458.49 g/mol
LogP7.13
Rot. Bonds9

About 1-dibenzhydryloxyphosphorylethanol

1-dibenzhydryloxyphosphorylethanol (PubChem CID 13148202) has the molecular formula C28H27O4P and a molecular weight of 458.49 g/mol. Its IUPAC name is 1-dibenzhydryloxyphosphorylethanol.

Molecular Properties

Compound Name1-dibenzhydryloxyphosphorylethanol
PubChem CID13148202
Molecular FormulaC28H27O4P
Molecular Weight458.49 g/mol
Exact Mass458.16
IUPAC Name1-dibenzhydryloxyphosphorylethanol
SMILESCC(O)P(=O)(OC(c1ccccc1)c1ccccc1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27O4P/c1-22(29)33(30,31-27(23-14-6-2-7-15-23)24-16-8-3-9-17-24)32-28(25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,27-29H,1H3
InChIKeyBLCIRSQAZVXPTJ-UHFFFAOYSA-N
XLogP7.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.49
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
(1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol
CID 125471602
[phenyl(phosphonooxy)methyl] dihydrogen phosphate
CID 141454803
benzhydryl diphenyl phosphate
CID 13353620
methyl(1-phenylethoxy)phosphinic acid
CID 154330211
dimethylphosphoryl(phenyl)methanol
CID 58658737
[fluoro(phenyl)methyl] dihydrogen phosphate
CID 19734110
(1S)-1-phenylethanol
CID 157125626
(S)-diphenoxyphosphoryl(phenyl)methanol
CID 36690824
benzhydryloxy-hydroxy-oxophosphanium
CID 66793238
benzhydryl (2S)-2-hydroxy-4-methylpentanoate
CID 10266710
[(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate
CID 11962000

Frequently Asked Questions

What is the IUPAC name of 1-dibenzhydryloxyphosphorylethanol?
The IUPAC name of 1-dibenzhydryloxyphosphorylethanol (CID 13148202) is 1-dibenzhydryloxyphosphorylethanol.
What is the SMILES notation for 1-dibenzhydryloxyphosphorylethanol?
The canonical SMILES for 1-dibenzhydryloxyphosphorylethanol is CC(O)P(=O)(OC(c1ccccc1)c1ccccc1)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-dibenzhydryloxyphosphorylethanol?
The InChIKey is BLCIRSQAZVXPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27O4P/c1-22(29)33(30,31-27(23-14-6-2-7-15-23)24-16-8-3-9-17-24)32-28(25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,27-29H,1H3.
What are the key properties of 1-dibenzhydryloxyphosphorylethanol?
1-dibenzhydryloxyphosphorylethanol has a molecular weight of 458.49 g/mol, XLogP of 7.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzhydryloxyphosphorylethanol is sourced from PubChem (CID 13148202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).