chempirical

5,5′-Methylenedisalicylic acid

C15H12O6CAS 122-25-8288.25 g/mol

Open in Covalent MOL file
OHOOHOOHHO
Carboxylic acidPhenol

Properties

Molecular formula
C15H12O6
Molar mass
288.25 g/mol
Exact mass
288.0634 Da
Melting point
243.5 °C
logP
2.08Crippen estimate
Polar surface area
115.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
4

Identifiers

CAS number
122-25-8
SMILES
O=C(O)c1cc(Cc2ccc(O)c(C(=O)O)c2)ccc1O
InChIKey
JWQFKVGACKJIAV-UHFFFAOYSA-N
InChI
InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)

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Names and synonyms

12 names
  • Benzoic acid, 3,3′-methylenebis[6-hydroxy-
  • Salicylic acid, 5,5′-methylenedi-
  • 3,3′-Methylenebis[6-hydroxybenzoic acid]
  • 3,3′-Dicarboxy-4,4′-dihydroxydiphenylmethane
  • 4,4′-Dihydroxydiphenylmethane-3,3′-dicarboxylic acid
  • Methylenebis(salicylic acid)
  • 4,4′-Dihydroxy-3,3′-dicarboxydiphenylmethane
  • 5-(3-Carboxy-4-hydroxybenzyl)salicylic acid
  • 5,5′-Methylenebis(salicylic acid)
  • 2,2′-Dihydroxy-5,5′-methylenedibenzoic acid
  • NSC 622445
  • NSC 14778

Work with 5,5′-Methylenedisalicylic 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

Gentisic acid490-79-963 % similar 4-Hydroxyisophthalic acid636-46-463 % similar 3,3′-Dicarboxy-4,4′-diaminodiphenylmethane7330-46-362 % similar 5-Iodosalicylic acid119-30-259 % similar Olsalazine15722-48-259 % similar 5-Chlorosalicylic acid321-14-259 % similar 5-Fluorosalicylic acid345-16-459 % similar 5-Bromosalicylic acid89-55-459 % similar

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

Same formula

(S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7,8-dihydroxy-4H-1-benzopyran-4-one1036-49-3 1,8-Dihydroxy-3,7-dimethoxyxanthone22172-17-4 Aromadendrin480-20-6 Eriodictyol552-58-9

Elsewhere

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