Dehydrozingerone

C₁₁H₁₂O₃CAS 1080-12-2192.21 g/mol

Open in Covalent MOL file

Alkene Ether Ketone Phenol

Properties

Molecular formula: C₁₁H₁₂O₃
Molar mass: 192.21 g/mol
Exact mass: 192.0786 Da
Melting point: 129 °C
logP: 2.00Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1080-12-2

SMILES

COc1cc(C=CC(C)=O)ccc1O

InChIKey

AFWKBSMFXWNGRE-UHFFFAOYSA-N

InChI

InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3

Weigh it out

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

Names and synonyms

15 names · show all

3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-
4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one
3-Methoxy-4-hydroxybenzalacetone
Feruloylmethane
[0]-Paradol, dehydro-
Dehydro[0]-paradol
4-Hydroxy-3-methoxystyryl methyl ketone
4-Hydroxy-3-methoxybenzylideneacetone
Vanillalacetone
NSC 26613
NSC 4019
NSC 44708
NSC 45411
NSC 5316
Dehydrogingerone

Work with Dehydrozingerone

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

Ferulic acid1135-24-671 % similar Ferulic acid537-98-471 % similar Methyl ferulate2309-07-169 % similar Curcumin458-37-769 % similar Sodium ferulate24276-84-464 % similar Ethyl ferulate4046-02-063 % similar Desmethoxycurcumin22608-11-362 % similar Coniferyl ferulate63644-62-262 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Helional1205-17-0 Ethyl 3-phenylglycidate121-39-1 (3-Methoxyphenyl)methyl 2-propenoate144261-46-1 δ-Oxobenzenepentanoic acid1501-05-9 Methyl 2-phenylacetoacetate16648-44-5 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-1 5,6-Dimethoxy-1-indanone2107-69-9 1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one22776-09-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook