Basic information
- CAS
143490-58-8- Standard SMILES
CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC(=O)OC)cc1)c1ccccc1- InChIKey
PBJIAGDOEOCPDR-BZZOAKBMSA-N- Molecular formula
- C25H24O4
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.16745924
Names & identifiers
- Preferred name
- Acetic acid, (4-(1-(4-hydroxyphenyl)-2-phenyl-1-butenyl)phenoxy)-, methyl ester, (Z)-
- IUPAC
- methyl 2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]acetate
Names & synonyms
Methyl 4-hydroxytamoxifen acidMethyl-4-hydroxytamoxifen acid143490-58-8Acetic acid, (4-(1-(4-hydroxyphenyl)-2-phenyl-1-butenyl)phenoxy)-, methyl ester, (Z)-
Database identifiers
- CAS
143490-58-8- PubChem CID
- 72201079
- Nikkaji
- J506.552F
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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