chempirical

Hydroxytyrosol acetate

C10H12O4CAS 69039-02-7196.20 g/mol

Open in Covalent MOL file
OOOHOH
EsterPhenol

Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
logP
1.20Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

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
69039-02-7
SMILES
CC(=O)OCCC1=CC(=C(C=C1)O)O
InChIKey
FGJGLFPNIZXRLV-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4/c1-7(11)14-5-4-8-2-3-9(12)10(13)6-8/h2-3,6,12-13H,4-5H2,1H3

Weigh it out

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Work with Hydroxytyrosol 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

Phenethyl acetate103-45-758 % similar 1-(3,4-Dihydroxyphenyl)-2-propanone2503-44-851 % similar Dihydrocaffeic acid1078-61-150 % similar 3-Phenylpropyl acetate122-72-549 % similar Hydroxytyrosol10597-60-146 % similar D-Dopa5796-17-845 % similar DOPA59-92-745 % similar Dl-dopa63-84-345 % similar

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

Same formula

3-(4-Hydroxymethylphenoxy)propionic acid101366-61-4 Dihydroferulic acid1135-23-5 2-(4-Methoxyphenoxy)propionic acid13794-15-5 2,5-Dimethoxyphenylacetic acid1758-25-4 2'-Hydroxy-4',5'-dimethoxyacetophenone20628-06-2 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0

Elsewhere

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