Basic information
- Standard SMILES
CC=Cc1ccc(OC)cc1- InChIKey
RUVINXPYWBROJD-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Overview
See also: Anethole (annotation moved to).
Names & identifiers
- Preferred name
- 1-Methoxy-4-Prop-1-Enylbenzene
- IUPAC
- 1-methoxy-4-prop-1-enylbenzene
Names & synonyms
1-methoxy-4-prop-1-enylbenzeneRefChem:10557031-Methoxy-4-(prop-1-en-1-yl)benzenecis-Anetholp-(1-Propenyl)anisole4-(1-propenyl)anisoleMethoxy-4-propenylbenzene1-(p-Methoxyphenyl)propenetrans-p-MethoxypropenylbenzeneFEMA 2086Anetholum1-Methoxy-4-[1-propenyl]benzene #
Show more names
1-methoxy-4-prop-1-enyl-benzenetrans-1-Methoxy-4-(1-propenyl)benzene(Z)-anetholp-methoxypropenylbenzeneSpectrum_001629SpecPlus_000644Spectrum2_000538Spectrum3_001109
Database identifiers
- CAS
104-46-1- PubChem CID
- 7703
- DTXSID
DTXSID4020086- ChEMBL
CHEMBL3185908
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
3 records
Linked notes
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