Benzene, (3-propoxy-1-propenyl)-

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Basic information

CAS: 54518-01-3
Standard SMILES: CCCOCC=Cc1ccccc1
InChIKey: FOULKAPJVUMBTM-UHFFFAOYSA-N
Molecular formula: C12H16O
Average molar mass: 176.25 g/mol
Monoisotopic mass: 176.12011513

Names & identifiers

Preferred name: Benzene, (3-propoxy-1-propenyl)-
IUPAC: 3-propoxyprop-1-enylbenzene
English name: 3-Phenylallylpropyl ether
Molecular formula: C12H16O
Molecular weight: 176.25

Names & synonyms

54518-01-3Benzene, (3-propoxy-1-propenyl)-DTXSID30341130RefChem:323146DTXCID502922113-Phenylallylpropyl etherSCHEMBL2146091SCHEMBL11800709(3-PROPOXYPROP-1-EN-1-YL)BENZENEDB-315579(3-Propoxy-1-propenyl)benzeneBenzene, (3-propoxy-1-propen-1-yl)-

Database identifiers

CAS: 54518-01-3
PubChem CID: 570524
DTXSID: DTXSID30341130

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 134

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Compound notes

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