chempirical

(2-(Dimethylamino)-2-oxoethyl) 2-(4-hydroxyphenyl)acetate

C12H15NO4CAS 59721-16-3237.25 g/mol

Open in Covalent MOL file
NOOOOH
AmideEsterPhenol

Properties

Molecular formula
C12H15NO4
Molar mass
237.25 g/mol
Exact mass
237.1001 Da
logP
0.57Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

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
59721-16-3
SMILES
CN(C)C(=O)COC(=O)Cc1ccc(O)cc1
InChIKey
QFOYXHSRNCTJOV-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO4/c1-13(2)11(15)8-17-12(16)7-9-3-5-10(14)6-4-9/h3-6,14H,7-8H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Benzeneacetic acid, 4-hydroxy-, 2-(dimethylamino)-2-oxoethyl ester
  • (Dimethylcarbamoyl)methyl 2-(4-hydroxyphenyl)acetate
  • 2-(Dimethylamino)-2-oxoethyl 2-(4-hydroxyphenyl)acetate
  • 2-Dimethylamino-2-oxoethyl 4-hydroxybenzeneacetate

Work with (2-(Dimethylamino)-2-oxoethyl) 2-(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

Ethyl 4-hydroxyphenylacetate17138-28-260 % similar Methyl (4-hydroxyphenyl)acetate14199-15-655 % similar N-Succinimidyl 3-(4-hydroxyphenyl)propionate34071-95-947 % similar 4-Hydroxyphenylacetone770-39-845 % similar Ethyl 4-hydroxyhydrocinnamate23795-02-044 % similar Camostat mesylate59721-29-844 % similar Ethyl 2-[4-(dimethylamino)phenyl]acetate17078-29-443 % similar Methyl 3-(4-hydroxyphenyl)propionate5597-50-243 % similar

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

Same formula

(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid103733-66-0 Boc-3-aminobenzoic acid111331-82-9 L-Glutamic acid alpha-benzyl ester13030-09-6 Z-Aib-oh15030-72-5 N-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-0 γ-Benzyl L-glutamate1676-73-9 Z-N-Me-ala-OH21691-41-8 5-(Phenylmethyl) hydrogen D-glutamate2578-33-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook