Methyl (4-hydroxyphenyl)acetate

C9H10O3CAS 14199-15-6166.18 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
181–182 °C
Boiling point
169–171 °C (at 8.5 Torr)
logP
1.11Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 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
14199-15-6
SMILES
COC(=O)Cc1ccc(O)cc1
InChIKey
XGDZEDRBLVIUMX-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Benzeneacetic acid, 4-hydroxy-, methyl ester
  • Acetic acid, (p-hydroxyphenyl)-, methyl ester
  • Methyl (p-hydroxyphenyl)acetate
  • 4-Hydroxybenzeneacetic acid methyl ester
  • Methyl 4-hydroxybenzeneacetate
  • (4-Hydroxyphenyl)acetic acid methyl ester
  • Methyl 2-(4-hydroxyphenyl)acetate
  • Methyl 2-(p-hydroxyphenyl)acetate
  • p-Hydroxyphenylacetic acid methyl ester
  • Methyl 2-(4′-hydroxyphenyl)acetate

Work with Methyl (4-hydroxyphenyl)acetate

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-hydroxyphenyl)propionate5597-50-272 % similar Methyl (4-bromophenyl)acetate41841-16-169 % similar Methyl 3,5-dihydroxyphenylacetate4724-10-169 % similar Methyl 3-hydroxyphenylacetate42058-59-366 % similar p-Tolylacetic acid methyl ester23786-13-266 % similar Ethyl 4-hydroxyphenylacetate17138-28-265 % similar Methyl phenylacetate101-41-765 % similar Methyl 4-methoxybenzeneacetate23786-14-364 % 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

PubChem CAS Common Chemistry NIST WebBook