chempirical

Methyl 4-hydroxy-2-methylbenzoate

C9H10O3CAS 57556-31-7166.18 g/mol

Open in Covalent MOL file
HOOO
EsterPhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
logP
1.49Crippen 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
57556-31-7
SMILES
CC1=C(C=CC(=C1)O)C(=O)OC
InChIKey
FINKSGWSBJRISB-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5,10H,1-2H3

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Work with Methyl 4-hydroxy-2-methylbenzoate

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

Dimethyl 4-hydroxyphthalate22479-95-473 % similar Methyl 2,4-dihydroxybenzoate2150-47-269 % similar Methyl 2-fluoro-4-hydroxybenzoate197507-22-565 % similar Methyl 2,5-dihydroxybenzoate2150-46-164 % similar Methyl 4-methoxy-2-methylbenzoate35598-05-162 % similar Methyl 4-cyano-2-methylbenzoate103261-67-262 % similar Methyl 5-hydroxyanthranilate1882-72-061 % similar Methyl 4-formyl-2-methylbenzoate74733-23-659 % similar

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

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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