chempirical

Methyl 4-Hydroxy-8-methyl-2-naphthoate

C13H12O3CAS 16059-74-8216.24 g/mol

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EsterPhenol

Properties

Molecular formula
C13H12O3
Molar mass
216.24 g/mol
Exact mass
216.0786 Da
logP
2.64Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
16059-74-8
SMILES
CC1=C2C=C(C=C(C2=CC=C1)O)C(=O)OC
InChIKey
JLEZODLMOCAUOI-UHFFFAOYSA-N
InChI
InChI=1S/C13H12O3/c1-8-4-3-5-10-11(8)6-9(7-12(10)14)13(15)16-2/h3-7,14H,1-2H3

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Names and synonyms

1 names
  • 2-Naphthalenecarboxylic acid, 4-hydroxy-8-methyl-, methyl ester

Work with Methyl 4-Hydroxy-8-methyl-2-naphthoate

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

Methyl 3,4-dihydroxybenzoate2150-43-855 % similar Methyl gallate99-24-155 % similar Methyl o-cresotinate23287-26-550 % similar Methyl 3-chloro-4-hydroxybenzoate3964-57-649 % similar Methyl 4-amino-3-hydroxybenzoate63435-16-549 % similar Methyl 3-hydroxybenzoate19438-10-949 % similar Methyl 2,6-dihydroxybenzoate2150-45-049 % similar Dimethyl isophthalate1459-93-449 % similar

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

Same formula

2-Ethoxy-1-naphthalenecarboxylic acid2224-00-2 6-Methoxy-2-naphthylacetic acid23981-47-7 7-Methoxy-1-naphthaleneacetic acid6836-22-2

Elsewhere

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