chempirical

Indophenol

C12H9NO2CAS 500-85-6199.21 g/mol

Open in Covalent MOL file
ONOH
AlkeneImineKetonePhenol

Properties

Molecular formula
C12H9NO2
Molar mass
199.21 g/mol
Exact mass
199.0633 Da
Melting point
160 °C
logP
2.16Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
500-85-6
SMILES
O=C1C=CC(=Nc2ccc(O)cc2)C=C1
InChIKey
RSAZYXZUJROYKR-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO2/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10/h1-8,14H

Weigh it out

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

Names and synonyms

4 names
  • 2,5-Cyclohexadien-1-one, 4-[(4-hydroxyphenyl)imino]-
  • 4-[(4-Hydroxyphenyl)imino]-2,5-cyclohexadien-1-one
  • Benzenoneindophenol
  • Phenolindophenol

Work with Indophenol

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

Quinhydrone106-34-367 % similar 1,5-Bis(4-hydroxyphenyl)-1,4-pentadien-3-one3654-49-752 % similar Aurin603-45-251 % similar Acetaminophen103-90-244 % similar 4-Nitrosophenol104-91-641 % similar P-Coumaric acid501-98-441 % similar P-Coumaric acid7400-08-041 % similar 4-Hydroxybenzoic acid99-96-738 % similar

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

Same formula

3-Nitrobiphenyl2113-58-8 2-Phenyl-3-pyridinecarboxylic acid33421-39-5 Phenyl 3-pyridinecarboxylate3468-53-9 4-(4-Pyridyl)benzoic acid4385-76-6 Dictamnine484-29-7 5-Nitroacenaphthene602-87-9 2-Nitrobiphenyl86-00-0 4-Nitro-1,1′-biphenyl92-93-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia