[3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol

C17H19O3P — CID 14928748

IUPAC[3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol
SMILESCC1(CP(=O)(c2ccccc2)c2ccccc2)OC1CO
InChIInChI=1S/C17H19O3P/c1-17(16(12-18)20-17)13-21(19,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3
InChIKeyBUZOZDFRNKVLAQ-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.15
Rot. Bonds5

About [3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol

[3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol (PubChem CID 14928748) has the molecular formula C17H19O3P and a molecular weight of 302.31 g/mol. Its IUPAC name is [3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol
PubChem CID14928748
Molecular FormulaC17H19O3P
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name[3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol
SMILESCC1(CP(=O)(c2ccccc2)c2ccccc2)OC1CO
InChIInChI=1S/C17H19O3P/c1-17(16(12-18)20-17)13-21(19,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3
InChIKeyBUZOZDFRNKVLAQ-UHFFFAOYSA-N
XLogP2.15
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 121000774
(2R)-2-(diphenylphosphorylmethyl)-2-phenyloxirane
CID 10711759
[1-(diphenylphosphorylmethyl)cyclopropyl]benzene
CID 162412703
(1R,4R,7S)-7-(diphenylphosphorylmethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 98107561
1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol
CID 15155087
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane
CID 13109384
1-diphenylphosphoryl-3,3-dimethylbutan-2-one
CID 2752007
(NZ)-N-(1-diphenylphosphorylpropan-2-ylidene)hydroxylamine
CID 102093434
2-cyclohexa-2,5-dien-1-yl-3-diphenylphosphoryl-2-methylpropan-1-ol
CID 162416925
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
3-(1-diphenylphosphorylethylsulfanylmethyl)-2,2-dimethyloxirane
CID 134929694

Frequently Asked Questions

What is the IUPAC name of [3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol?
The IUPAC name of [3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol (CID 14928748) is [3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol.
What is the SMILES notation for [3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol?
The canonical SMILES for [3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol is CC1(CP(=O)(c2ccccc2)c2ccccc2)OC1CO.
What is the InChIKey of [3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol?
The InChIKey is BUZOZDFRNKVLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O3P/c1-17(16(12-18)20-17)13-21(19,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3.
What are the key properties of [3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol?
[3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol has a molecular weight of 302.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol is sourced from PubChem (CID 14928748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).