Benzeneethanol, beta-((4-(2-(dimethylamino)ethoxy)phenyl)(4-hydroxyphenyl)methylene)-alpha-methyl-, (betaE)-
Basic information
- CAS
194279-77-1- Standard SMILES
CC(O)/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1- InChIKey
HZXFACZGQOKWOX-QPLCGJKRSA-N- Molecular formula
- C26H29NO3
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.21474379
Names & identifiers
- Preferred name
- Benzeneethanol, beta-((4-(2-(dimethylamino)ethoxy)phenyl)(4-hydroxyphenyl)methylene)-alpha-methyl-, (betaE)-
- IUPAC
- 4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-hydroxy-2-phenylbut-1-enyl]phenol
Names & synonyms
4,alpha-Dihydroxytamoxifen194279-77-1Benzeneethanol, beta-((4-(2-(dimethylamino)ethoxy)phenyl)(4-hydroxyphenyl)methylene)-alpha-methyl-, (betaE)-4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-hydroxy-2-phenylbut-1-enyl]phenol
Database identifiers
- CAS
194279-77-1- PubChem CID
- 3036713
- Nikkaji
- J952.863F
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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