4-(1,2-Diphenylbut-1-enyl)phenol
Basic information
- CAS
68684-63-9- Standard SMILES
CCC(=C(c1ccccc1)c1ccc(O)cc1)c1ccccc1- InChIKey
YJVFSITVRZYTHO-UHFFFAOYSA-N- Molecular formula
- C22H20O
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.15141526
Names & identifiers
- Preferred name
- 4-(1,2-Diphenylbut-1-enyl)phenol
- IUPAC
- 4-(1,2-diphenylbut-1-enyl)phenol
- English name
- 1-(4-hydroxyphenyl)-1,2-diphenyl-1-butene
- Molecular formula
- C22H20O
- Molecular weight
- 300.39
Names & synonyms
4-(1,2-diphenylbut-1-enyl)phenol(EZ)-1-(4-Hydroxyphenyl)-1,2-diphenylbut-1-ene4-[1,2-diphenylbut-1-enyl]phenolCID 63063Tamoxifen Citrate Impurity 16SCHEMBL5354177SCHEMBL6474909SCHEMBL28457370DB-322065NS00006628186558ICI 77949
Show more names
TAMOXIFENMETABOLITEE4-(1,2-diphenylbut-1-en-1-yl)phenol(EZ)-1-(4-Hydroxyphenyl)-1,2-diphenPhenol, 4-(1,2-diphenyl-1-buten-1-yl)-(Z)-4-(1,2-diphenylbut-1-en-1-yl)phenol1-(4-hydroxyphenyl)-1,2-diphenylbut-1-ene1-(4-hydroxyphenyl)-1,2-diphenyl-1-butene
Database identifiers
- CAS
68684-63-9- PubChem CID
- 63063
- DTXSID
DTXSID701294588
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 377
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 104 · 104-105℃
- Boiling point
- 420.6 · 420.6±14.0 °C(Predicted)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- pka
- 9.37 · 9.37±0.15(Predicted)
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H341-H351-H361
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501-P273-P391-P501-P201-P202-P281-P308+P313-P405-P501-P201-P202-P281-P308+P313-P405-P501
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS09
- Hazard statements
- H410-H341-H351-H361
- REACH Registrations
- Active
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P273-P391-P501-P201-P202-P281-P308+P313-P405-P501-P201-P202-P281-P308+P313-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…