chempirical

1-Naphthyl phosphate

C10H9O4PCAS 1136-89-6224.15 g/mol

Open in Covalent MOL file
OPHOHOO
Phosphate

Properties

Molecular formula
C10H9O4P
Molar mass
224.15 g/mol
Exact mass
224.0238 Da
Melting point
155–157 °C
logP
2.31Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
1136-89-6
SMILES
O=P(O)(O)Oc1cccc2ccccc12
InChIKey
YNXICDMQCQPQEW-UHFFFAOYSA-N
InChI
InChI=1S/C10H9O4P/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)

Weigh it out

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

Names and synonyms

10 names
  • 1-Naphthalenol, 1-(dihydrogen phosphate)
  • 1-Naphthol, dihydrogen phosphate
  • 1-Naphthalenol, dihydrogen phosphate
  • α-Naphthyl phosphate
  • Naphthol 1-phosphate
  • α-Naphthol phosphate
  • Phosphoric acid α-naphthyl ester
  • 1-Naphthyl dihydrogen phosphate
  • α-Naphthyl acid phosphate
  • Naphthyl dihydrogen phosphate

Work with 1-Naphthyl phosphate

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-Naphthyl disodium orthophosphate2183-17-756 % similar Fosfosal6064-83-150 % similar (±)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate35193-63-647 % similar (+)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate35193-64-747 % similar (-)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate39648-67-447 % similar 1-Methoxynaphthalene2216-69-545 % similar N-Phenyl-3-(phosphonooxy)-2-naphthalenecarboxamide13989-98-544 % similar Naphthoxyacetic acid2976-75-243 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook