3'-Allyl-4'-hydroxyacetophenone

C₁₁H₁₂O₂CAS 1132-05-4176.21 g/mol

Open in Covalent MOL file

Alkene Ketone Phenol

Properties

Molecular formula: C₁₁H₁₂O₂
Molar mass: 176.21 g/mol
Exact mass: 176.0837 Da
logP: 2.32Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H318 Causes serious eye damage97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P354+P338, P317

Identifiers

CAS number

1132-05-4

SMILES

CC(=O)C1=CC(=C(C=C1)O)CC=C

InChIKey

XVTCWUFLNLZPEJ-UHFFFAOYSA-N

InChI

InChI=1S/C11H12O2/c1-3-4-10-7-9(8(2)12)5-6-11(10)13/h3,5-7,13H,1,4H2,2H3

Weigh it out

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

Work with 3'-Allyl-4'-hydroxyacetophenone

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

1-[3-(Chloromethyl)-4-hydroxyphenyl]ethanone24085-05-063 % similar 3',4'-Dihydroxyacetophenone1197-09-757 % similar 4′-Hydroxy-3′-methylacetophenone876-02-853 % similar 2-Allyl-4-chlorophenol13997-73-451 % similar 1-(3-Chloro-4-hydroxyphenyl)ethanone2892-29-751 % similar 1-(3-Fluoro-4-hydroxyphenyl)ethan-1-one403-14-551 % similar O,O′-Diallylbisphenol A1745-89-751 % similar 5-Acetylsalicylic acid13110-96-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl cinnamate103-36-6 Cinnamyl acetate103-54-8 6-Methoxy-1-tetralone1078-19-9 5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-1 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-7 Allyl phenylacetate1797-74-6 1,2,3,4-Tetrahydro-1-naphthoic acid1914-65-4 2-Methyl-1-phenyl-3-butyne-1,2-diol2033-94-5

Elsewhere

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