(E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
Basic information
- CAS
195611-82-6- Standard SMILES
CC/C(=C(\c1ccc(O)cc1)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1- InChIKey
SCVIEONTACSLJA-YGCRUXFTSA-N- Molecular formula
- C25H22O3
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.15689456
Names & identifiers
- Preferred name
- (E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
- IUPAC
- (E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
- English name
- GW7604
- Molecular formula
- C25H22O3
- Molecular weight
- 370.44
Names & synonyms
GW7604195611-82-6(E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acidCHEMBL195515C25H22O3(E)-3-(4-((E)-1-(4-Hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenyl)acrylic acidGW 7604orb1707230SCHEMBL5070366GLXC-03082BDBM50084948MFCD29770803
Show more names
GW7604,GW-76042-Propenoic acid, 3-[4-[(1E)-1-(4-hydroxyphenyl)-2-phenyl-1-buten-1-yl]phenyl]-, (2E)-
AKOS037643461(E)-GW7604(E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenyl-but-1-enyl]phenyl]prop-2-enoic AcidAS-16499DA-53793HY-117153CS-0064011CS-1056059
Database identifiers
- CAS
195611-82-6- PubChem CID
- 9799518
- ChEMBL
CHEMBL195515
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 554
Physicochemical properties
- Boiling point
- 543.8 · 543.8±38.0 °C(Predicted)
- Density
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- pka
- 4.55 · 4.55±0.10(Predicted)
Chemistry & industry
Applications
Uses(E)-GW7604 is the (E)-isomer of GW7604, an antiestrogen and a metabolite of GW5638 (HY-112746), which is a high-affinity estrogen receptor (ER) antagonist[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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