2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid

C18H19NO4CAS 5809-23-4313.35 g/mol

Open in Covalent MOL file
NOOHOOH
Carboxylic acidKetonePhenolTertiary amine

Properties

Molecular formula
C18H19NO4
Molar mass
313.35 g/mol
Exact mass
313.1314 Da
Melting point
205–207 °C
logP
3.17Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Hazards

Not classified as hazardous under GHS by 106 ECHA notifiers. Aggregated from 106 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
5809-23-4
SMILES
CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
InChIKey
FQNKTJPBXAZUGC-UHFFFAOYSA-N
InChI
InChI=1S/C18H19NO4/c1-3-19(4-2)12-9-10-15(16(20)11-12)17(21)13-7-5-6-8-14(13)18(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23)

Weigh it out

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

Names and synonyms

14 names · show all
  • Benzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]-
  • Benzoic acid, o-[4-(diethylamino)salicyloyl]-
  • o-[2-Hydroxy-4-(diethylamino)benzoyl]benzoic acid
  • 2′-Carboxy-4-(diethylamino)-2-hydroxybenzophenone
  • 4-(Diethylamino)-2-hydroxy-2′-carboxybenzophenone
  • o-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid
  • 1-(2-Carboxybenzoyl)-4-(diethylamino)-2-hydroxybenzene
  • 2-[2-Hydroxy-4-(diethylamino)benzoyl]benzoic acid
  • 4-(2-Carboxybenzoyl)-N,N-diethyl-3-hydroxyaniline
  • 2-Hydroxy-4-(diethylamino)-2′-carboxybenzophenone
  • 4-N,N-Diethylamino-2-hydroxy-2′-carboxybenzophenone
  • NSC 625797
  • 2-Carboxyl-4′-diethylamino-2′-hydroxybenzophenone
  • 2-(4-N,N-Diethylamino-2-hydroxybenzoyl)-benzoic acid

Work with 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid

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-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid54574-82-276 % similar Hexyl 2-(4-(diethylamino)-2-hydroxybenzoyl)benzoate302776-68-761 % similar Ethyl red76058-33-852 % similar 4-(Diethylamino)benzoic acid5429-28-748 % similar 7-Diethylaminocoumarin-3-carboxylic acid50995-74-946 % similar Dioxybenzone131-53-345 % similar 4-(Diethylamino)-2-hydroxybenzaldehyde17754-90-445 % similar 2-Anthraquinonecarboxylic acid117-78-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Kresoxim-methyl143390-89-0 (+)-Norisoboldine23599-69-1 Cbz-N-methyl-L-phenylalanine2899-07-2 N-Benzoyl-L-tyrosine ethyl ester3483-82-7 (+)-Laurolitsine5890-18-6 Feruloyltyramine66648-43-9

Elsewhere

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