chempirical

3-Methyl-1-phenyl-2-phospholene 1-oxide

C11H13OPCAS 707-61-9192.20 g/mol

Open in Covalent MOL file
PO
Alkene

Properties

Molecular formula
C11H13OP
Molar mass
192.20 g/mol
Exact mass
192.0704 Da
Boiling point
150 °C (at 0.15 Torr)
logP
2.98Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
707-61-9
SMILES
CC1=CP(=O)(c2ccccc2)CC1
InChIKey
YMKWWHFRGALXLE-UHFFFAOYSA-N
InChI
InChI=1S/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide
  • 2-Phospholene, 3-methyl-1-phenyl-, 1-oxide
  • 1-Oxo-1-phenyl-3-methyl-2-phospholene
  • 1-Phenyl-3-methyl-2-phospholene 1-oxide
  • 1-Oxo-3-methyl-1-phenyl-2-phospholene
  • 2,3-Dihydro-4-methyl-1-phenyl-1H-phosphole 1-oxide
  • NSC 107634
  • 3-Methyl-1-phenyl-2-phospholen 1-oxide

Work with 3-Methyl-1-phenyl-2-phospholene 1-oxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(Triphenylphosphoranylidene)-2-propanone1439-36-736 % similar Ethyldiphenylphosphine oxide1733-57-935 % similar Methyldiphenylphosphine oxide2129-89-734 % similar 2-Carboxyethyl(phenyl)phosphinic acid14657-64-834 % similar Triphenylphosphine oxide791-28-633 % similar Triphenylcarbethoxymethylenephosphorane1099-45-232 % similar Dimethyl P-phenylphosphonate2240-41-732 % similar Carbomethoxymethylenetriphenylphosphorane2605-67-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Phenyl-4-phosphorinanone23855-87-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook