General Information of the Compound
Compound ID
CP0071097
Compound Name
2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol
    Show/Hide
Synonyms
2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol
73731-87-0
AC1NST4K
BDBM50251012
BROUSSONIN A
Biooussonin A
Broussonin A
CHEMBL465879
MCULE-7164788732
MSNVBURPCQDLEP-UHFFFAOYSA-N
MolPort-019-937-120
SCHEMBL774802
ZINC13341109
    Show/Hide
Structure
Formula
C16H18O3
Molecular Weight
258.317
Canonical SMILES
COc1ccc(CCCc2ccc(O)cc2)c(O)c1
    Show/Hide
InChI
InChI=1S/C16H18O3/c1-19-15-10-7-13(16(18)11-15)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3
    Show/Hide
InChIKey
MSNVBURPCQDLEP-UHFFFAOYSA-N
Physicochemical Property
logP
3.2817
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
49.69
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 5315502
SID: 15196969
ChEMBL ID
CHEMBL465879
Clinical Information about the Compound
Drug 1 ( BROUSSONIN A )
Drug Name BROUSSONIN A
Target(s)
Estrogen receptor beta (ESR2)
Inhibitor
Estrogen receptor (ESR)
Inhibitor