3-(1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol

HCID 5377

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Basic information

CAS: 83647-29-4
Standard SMILES: CCC(=C(c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1
InChIKey: ZQZFYGIXNQKOAV-UHFFFAOYSA-N
Molecular formula: C26H29NO2
Average molar mass: 387.5 g/mol
Monoisotopic mass: 387.21982917

Names & identifiers

Preferred name: 3-(1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol
IUPAC: 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
English name: 3-{(Z)-1-[4-(2-Dimethylaminoethoxy)phenyl]-2-phenylbut-1-enyl}phenol
Molecular weight: 0

Names & synonyms

83647-29-43-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenolSCHEMBL4843orb2814581SCHEMBL30534774DTXSID20274463ZQZFYGIXNQKOAV-UHFFFAOYSA-NDB-0463583-{(Z)-1-[4-(2-Dimethylaminoethoxy)phenyl]-2-phenylbut-1-enyl}phenol

Database identifiers

CAS: 83647-29-4
PubChem CID: 5377
DTXSID: DTXSID20274463

Properties

Computed structural properties

XLogP: 6.8
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 501

Related reactions

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New reaction record

HRID 106470As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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