4-(N,N-Diethylaminoethoxy)-4'-methoxy-alpha-(4-hydroxyphenyl)-alpha-ethylstilbene

HCID 3035233

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Basic information

CAS: 71868-47-8
Standard SMILES: CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1)c1ccc(OC)cc1
InChIKey: WVWQRKRKQFHIQL-ZIADKAODSA-N
Molecular formula: C29H35NO3
Average molar mass: 445.6 g/mol
Monoisotopic mass: 445.26169398

Names & identifiers

Preferred name: 4-(N,N-Diethylaminoethoxy)-4'-methoxy-alpha-(4-hydroxyphenyl)-alpha-ethylstilbene
IUPAC: 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)but-1-enyl]phenol

Names & synonyms

4-(N,N-Diethylaminoethoxy)-4'-methoxy-alpha-(4-hydroxyphenyl)-alpha-ethylstilbene4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)but-1-enyl]phenolPhenol, 4-((1Z)-1-(4-(2-(diethylamino)ethoxy)phenyl)-2-(4-methoxyphenyl)-1-butenyl)-Phenol, 4-(1-(4-(2-(diethylamino)ethoxy)phenyl)-2-(4-methoxyphenyl)-1-butenyl)-, (Z)-

Database identifiers

CAS: 71868-47-8
PubChem CID: 3035233
Nikkaji: J34.369B

Properties

Computed structural properties

XLogP: 7.5
Topological polar surface area: 41.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 33
Formal charge: 0
Complexity: 563

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