Anethole
Properties
- Molecular formula
- C10H12O
- Molar mass
- 148.20 g/mol
- Exact mass
- 148.0888 Da
- Density
- 0.9878 g/mL (at 20 °C)
- Melting point
- 21.3 °C
- Boiling point
- 234 °C
- logP
- 2.73Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Identifiers
CAS number
104-46-1SMILES
CC=Cc1ccc(OC)cc1InChIKey
RUVINXPYWBROJD-UHFFFAOYSA-NInChI
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
23 names · show all
- Benzene, 1-methoxy-4-(1-propen-1-yl)-
- Anisole, p-propenyl-
- Benzene, 1-methoxy-4-(1-propenyl)-
- 1-Methoxy-4-(1-propen-1-yl)benzene
- Anise camphor
- Isoestragole
- p-Methoxy-β-methylstyrene
- 1-Methoxy-4-propenylbenzene
- Oil of aniseed
- p-Propenylphenyl methyl ether
- 1-Propene, 1-(4-methoxyphenyl)-
- Anethol
- 4-Methoxy-1-propenylbenzene
- Nauli gum
- p-1-Propenylanisole
- 1-Methoxy-4-(1-propenyl)benzene
- 4-Methoxypropenylbenzene
- p-Propenylanisole
- 4-Propenylanisole
- p-Anethole
- 4-(1-Propenyl)anisole
- NSC 4018
- 1-(4-Methoxyphenyl)-1-propene
Work with Anethole
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Anethole4180-23-8100 % similar
4-Methoxystilbene1142-15-065 % similar
Resveratrol trimethyl ether22255-22-763 % similar
1,4-Dimethoxybenzene150-78-757 % similar
4-Methoxycinnamonitrile28446-68-657 % similar
4-Anisaldehyde123-11-556 % similar
4-Methoxybenzaldehyde azine2299-73-256 % similar
4-Vinylanisole637-69-456 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds