5-(1-(4-Ethoxyphenyl)ethyl)-6-methoxy-1,3-benzodioxole

HCID 337030

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Basic information

CAS: 90632-70-5
Standard SMILES: CCOc1ccc(C(C)c2cc3c(cc2OC)OCO3)cc1
InChIKey: HEPVVPUNSAKITO-UHFFFAOYSA-N
Molecular formula: C18H20O4
Average molar mass: 300.3 g/mol
Monoisotopic mass: 300.13615911

Names & identifiers

Preferred name: 5-(1-(4-Ethoxyphenyl)ethyl)-6-methoxy-1,3-benzodioxole
IUPAC: 5-[1-(4-ethoxyphenyl)ethyl]-6-methoxy-1,3-benzodioxole

Names & synonyms

90632-70-5NSC3536485-(1-(4-Ethoxyphenyl)ethyl)-6-methoxy-1,3-benzodioxole5-[1-(4-Ethoxyphenyl)ethyl]-6-methoxy-1,3-benzodioxoleNSC 353648NSC-3536481,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)ethyl)-6-methoxy-1,3-Benzodioxole, 5-[1-(4-ethoxyphenyl)ethyl]-6-methoxy-ELF3WP3KPECHEMBL52216HEPVVPUNSAKITO-UHFFFAOYSA-NNCI60_003176

Show more names

1, 5-[1-(4-ethoxyphenyl)ethyl]-6-methoxy-5-Methoxy-6-[1-[4-ethoxyphenyl]ethyl]-1,3-benzodioxol5-methoxy-6-(1-[4-ethoxyphenyl]ethyl)-1,3-benzodioxole1,3-Benzodioxole, {5-[1-(4-ethoxyphenyl)ethyl]-6-methoxy-}5-[1-(4-Ethoxyphenyl)ethyl]-6-methoxy-1,3-benzodioxole #

Database identifiers

CAS: 90632-70-5
PubChem CID: 337030
ChEMBL: CHEMBL52216
UNII: ELF3WP3KPE
Nikkaji: J684.619J

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 36.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 340

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