Methyl 3-hydroxy-2-methylbenzoate

C9H10O3CAS 55289-05-9166.18 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

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
55289-05-9
SMILES
CC1=C(C=CC=C1O)C(=O)OC
InChIKey
PJSKJGYGIBLIAS-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5,10H,1-2H3

Weigh it out

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Work with Methyl 3-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

Methyl salicylate119-36-870 % similar Methyl 2,3-dihydroxybenzoate2411-83-869 % similar Methyl 3,4-Dihydroxy-2-methylbenzoate740799-82-065 % similar Methyl 3-amino-2-methylbenzoate18583-89-664 % similar 3-Bromo-2-methyl-benzoic acid methyl ester99548-54-664 % similar Methyl 2,6-dihydroxybenzoate2150-45-062 % similar 3-Hydroxy-2-methylbenzoic acid603-80-558 % similar Methyl o-cresotinate23287-26-558 % 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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