5-[1-(4-Methoxyphenyl)ethyl]-6-propoxy-1,3-benzodioxole

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Basic information

CAS: 71712-18-0
Standard SMILES: CCCOc1cc2c(cc1C(C)c1ccc(OC)cc1)OCO2
InChIKey: PLTBJEXOLLSNDS-UHFFFAOYSA-N
Molecular formula: C19H22O4
Average molar mass: 314.4 g/mol
Monoisotopic mass: 314.15180918

Names & identifiers

Preferred name: 5-[1-(4-Methoxyphenyl)ethyl]-6-propoxy-1,3-benzodioxole
IUPAC: 5-[1-(4-methoxyphenyl)ethyl]-6-propoxy-1,3-benzodioxole

Names & synonyms

71712-18-05-[1-(4-methoxyphenyl)ethyl]-6-propoxy-1,3-benzodioxoleNSC321585CHEMBL432310SCHEMBL11094276DTXSID903178911,3-Benzodioxole, 5-[1-(4-methoxyphenyl)ethyl]-6-propoxy-NSC-321585DS-0082931, 5-[1-(4-methoxyphenyl)ethyl]-6-propoxy-5-[1-(4-METHOXYPHENYL)ETHYL]-6-PROPOXY-2H-1,3-BENZODIOXOLE

Database identifiers

CAS: 71712-18-0
PubChem CID: 331201
DTXSID: DTXSID90317891
ChEMBL: CHEMBL432310

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 36.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 353

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Compound notes

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