General Information of the Compound
Compound ID
CP0203169
Compound Name
4-(1,2-diphenyl-vinyl)-phenol
    Show/Hide
Synonyms
1,1-Bis(4-hydroxyphenyl)-2-phenylethylene
1,1-bis(4-hydroxyphenyl)-2-phenylethene
4,4'-(2-Phenylethene-1,1-Diyl)diphenol
4-(1,2-diphenyl-vinyl)-phenol
4-[1-(4-hydroxyphenyl)-2-phenylethenyl]phenol
4-[1-(4-hydroxyphenyl)-2-phenylvinyl]phenol
66422-18-2
AC1MI565
BDBM50023749
Bhpe-1,1
CHEMBL415864
CTK5C4724
Phenol, 4,4'-(phenylethenylidene)bis-
SCHEMBL641985
ZINC13492380
    Show/Hide
Structure
Formula
C20H16O2
Molecular Weight
288.346
Canonical SMILES
Oc1ccc(cc1)C(=Cc1ccccc1)c1ccc(O)cc1
    Show/Hide
InChI
InChI=1S/C20H16O2/c21-18-10-6-16(7-11-18)20(14-15-4-2-1-3-5-15)17-8-12-19(22)13-9-17/h1-14,21-22H
    Show/Hide
InChIKey
CKNFKDYCAQZYBQ-UHFFFAOYSA-N
CAS
66422-18-2
Physicochemical Property
logP
4.6867
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
40.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 3017674
SID: 15344991
ChEMBL ID
CHEMBL415864
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00886, Estrogen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000644 MCF-7-2a Homo sapiens (Human)  1
1
IC50 = 150 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-[1-(4-hydroxyphenyl)-2-phenylvinyl]phenol )
Drug Name 4-[1-(4-hydroxyphenyl)-2-phenylvinyl]phenol
Target(s)
Estrogen receptor (ESR)
Inhibitor