1-(Allyloxy)-2,3,5-trimethylbenzene

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Basic information

CAS: 53546-78-4
Standard SMILES: C=CCOc1cc(C)cc(C)c1C
InChIKey: HKEUTDMEFUDCHE-UHFFFAOYSA-N
Molecular formula: C12H16O
Average molar mass: 176.25 g/mol
Monoisotopic mass: 176.12011513

Names & identifiers

Preferred name: 1-(Allyloxy)-2,3,5-trimethylbenzene
IUPAC: 1,2,5-trimethyl-3-prop-2-enoxybenzene

Names & synonyms

1-(allyloxy)-2,3,5-trimethylbenzene53546-78-4allyl (2,3,5-trimethylphenyl) ether(2,3,5-trimethylphenyl) (2-propenyl) etherbenzene, 1,2,5-trimethyl-3-(2-propenyloxy)-RefChem:225992InChI=1/C12H16O/c1-5-6-13-12-8-9(2)7-10(3)11(12)4/h5,7-8H,1,6H2,2-4HNSC167604SCHEMBL659348DTXSID00304853AT17221NSC-167604

Show more names

DB-4208241,2,5-Trimethyl-3-[(prop-2-en-1-yl)oxy]benzene

Database identifiers

CAS: 53546-78-4
PubChem CID: 297004
DTXSID: DTXSID00304853
Nikkaji: J1.632.162A

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 165

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Compound notes

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