4-Benzyloxy-3-methoxycinnamic acid

C₁₇H₁₆O₄CAS 7152-95-6284.31 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ether

Properties

Molecular formula: C₁₇H₁₆O₄
Molar mass: 284.31 g/mol
Exact mass: 284.1049 Da
logP: 3.37Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 6
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers
H400 Very toxic to aquatic life90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, P501

Identifiers

CAS number

7152-95-6

SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)O)OCC2=CC=CC=C2

InChIKey

WSOBQOYHYGVEIR-CSKARUKUSA-N

InChI

InChI=1S/C17H16O4/c1-20-16-11-13(8-10-17(18)19)7-9-15(16)21-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,18,19)/b10-8+

Weigh it out

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

Work with 4-Benzyloxy-3-methoxycinnamic acid

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

3,4-Dimethoxycinnamic acid14737-89-470 % similar 3′,4′-Dimethoxycinnamic acid2316-26-970 % similar Benzyl isoeugenol120-11-666 % similar 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-163 % similar 3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid2596-47-661 % similar 3′,4′-Methylenedioxycinnamic acid2373-80-060 % similar 4-Benzyloxy-3-methoxy-omega-nitrostyrene63909-38-659 % similar Ferulic acid1135-24-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Caffeic acid phenethyl ester104594-70-9 Dibenzyl malonate15014-25-2 Flavokavain B1775-97-9 Mollugin55481-88-4

Elsewhere

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