chempirical

2-(6-Oxido-6H-dibenz[C,E][1,2]oxaphosphorin-6-yl)-1,4-benzenediol

C18H13O4PCAS 99208-50-1324.27 g/mol

Open in Covalent MOL file
OPHOOHO
Phenol

Properties

Molecular formula
C18H13O4P
Molar mass
324.27 g/mol
Exact mass
324.0551 Da
Melting point
244–245 °C
logP
3.39Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
99208-50-1
SMILES
O=P1(c2cc(O)ccc2O)Oc2ccccc2-c2ccccc21
InChIKey
KMRIWYPVRWEWRG-UHFFFAOYSA-N
InChI
InChI=1S/C18H13O4P/c19-12-9-10-15(20)18(11-12)23(21)17-8-4-2-6-14(17)13-5-1-3-7-16(13)22-23/h1-11,19-20H

Weigh it out

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

Names and synonyms

20 names · show all
  • 1,4-Benzenediol, 2-(6-oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)-
  • 1,4-Benzenediol, 2-(6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)-, P-oxide
  • 6H-Dibenz[c,e][1,2]oxaphosphorin, 1,4-benzenediol deriv.
  • HCA-HQ
  • 10-(2′,5′-Dihydroxyphenyl)-9,10-dihydro-9-oxa-10-phosphaphenanthrene 10-oxide
  • PHQ
  • 10-(2,5-Dihydroxyphenyl)-9,10-dihydro-9-oxa-10-phosphaphenanthrene 10-oxide
  • Sanko HCA-HQ
  • DOPO-HQ
  • ODOPB
  • 10-(2,5-Dihydroxyphenyl)-10H-9-oxa-10-phosphaphenanthren-10-oxide
  • HCA-HQ-HS
  • DOPO-BQ
  • 10-(2,5-Dihydroxyphenyl)-10H-9-oxa-10-phosphaphenanthrene 10-oxide
  • 10-(2,5-Dihydroxyphenyl)-9-oxa-10-phosphaphenanthrene 10-oxide
  • 10-(2,5-Dihydroxylphenyl)-9,10-dihydro-9-oxa-10-phosphaphenanthrene 10-oxide
  • 10-(2,5-Dihydroxyphenyl)-10-hydro-9-oxa-10-phosphaphenanthrene-10-oxide
  • 10-(2,5-Dihydroxyphenyl)-9,10-dihydro-9-oxa-10-phenanthrene-10-oxide
  • HCA-HQ-HST
  • 2-(6-Oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol

Work with 2-(6-Oxido-6H-dibenz[C,E][1,2]oxaphosphorin-6-yl)-1,4-benzenediol

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

2-[(6-Oxido-6H-dibenz[C,E][1,2]oxaphosphorin-6-yl)methyl]butanedioic acid63562-33-436 % similar 2-Methoxyhydroquinone824-46-433 % similar Hydroxyquinol533-73-333 % similar 2-Hydroxyfluorenone6949-73-131 % similar 2,5-Dihydroxybenzaldehyde1194-98-530 % similar tert-Butylhydroquinone1948-33-030 % similar

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

Elsewhere

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