chempirical

Methyl 2-hydroxy-1-naphthoate

C12H10O3CAS 947-65-9202.21 g/mol

Open in Covalent MOL file
OOHO
EsterPhenol

Properties

Molecular formula
C12H10O3
Molar mass
202.21 g/mol
Exact mass
202.0630 Da
logP
2.33Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
947-65-9
SMILES
COC(=O)C1=C(C=CC2=CC=CC=C21)O
InChIKey
LEENMPKUUNPLHM-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O3/c1-15-12(14)11-9-5-3-2-4-8(9)6-7-10(11)13/h2-7,13H,1H3

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Work with Methyl 2-hydroxy-1-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 2,6-dihydroxybenzoate2150-45-063 % similar 2-Hydroxy-1-naphthoic acid2283-08-158 % similar Methyl 3-hydroxy-2-naphthoate883-99-855 % similar Methyl 2-fluoro-6-hydroxybenzoate72373-81-054 % similar Methyl salicylate119-36-853 % similar Methyl 3,4-dihydroxybenzoate2150-43-849 % similar Methyl 2,4,6-trihydroxybenzoate3147-39-549 % similar Methyl 2-naphthoate2459-25-848 % similar

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

Same formula

2-Methyl-5-phenylfuran-3-carboxylic acid108124-17-0 2-Naphthoxyacetic acid120-23-0 4-Methoxy-1-naphthalenecarboxylic acid13041-62-8 4,4′-Dihydroxydiphenyl ether1965-09-9 6-Methoxy-2-naphthoic acid2471-70-7 Naphthoxyacetic acid2976-75-2 6-Methoxy-1-naphthoic acid36112-61-5 6-Ethyl-3-formylchromone42059-78-9

Elsewhere

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