chempirical

Phenyl 1,4-dihydroxy-2-naphthalenecarboxylate

C17H12O4CAS 54978-55-1280.28 g/mol

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OOOHHO
EsterPhenol

Properties

Molecular formula
C17H12O4
Molar mass
280.28 g/mol
Exact mass
280.0736 Da
logP
3.47Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
54978-55-1
SMILES
O=C(Oc1ccccc1)c1cc(O)c2ccccc2c1O
InChIKey
XDUXGEPGVNWEBQ-UHFFFAOYSA-N
InChI
InChI=1S/C17H12O4/c18-15-10-14(16(19)13-9-5-4-8-12(13)15)17(20)21-11-6-2-1-3-7-11/h1-10,18-19H

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Names and synonyms

4 names
  • 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester
  • Phenyl 1,4-dihydroxy-2-naphthoate
  • 1,4-Dihydroxy-2-phenoxycarbonylnaphthalene
  • 1,4-Dihydroxy-naphthalene-2-carboxylic acid phenyl ester

Work with Phenyl 1,4-dihydroxy-2-naphthalenecarboxylate

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

Phenyl 1-hydroxy-2-naphthoate132-54-763 % similar Phenyl salicylate118-55-861 % similar 1,4-Dihydroxy-2-naphthoic acid31519-22-957 % similar Phenyl 4-aminosalicylate133-11-955 % similar Diphenyl phthalate84-62-853 % similar Phenyl 4-hydroxybenzoate17696-62-745 % similar Diphenyl isophthalate744-45-645 % similar 1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-445 % similar

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

Same formula

3-Methylflavone-8-carboxylic acid3468-01-7

Elsewhere

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