General Information of the Compound
Compound ID
CP0516372
Compound Name
1-[4-(4-hydroxy-2-methylphenyl)phenyl]ethanone
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Structure
Formula
C15H14O2
Molecular Weight
226.275
Canonical SMILES
CC(=O)c1ccc(cc1)-c1ccc(O)cc1C
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InChI
InChI=1S/C15H14O2/c1-10-9-14(17)7-8-15(10)13-5-3-12(4-6-13)11(2)16/h3-9,17H,1-2H3
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InChIKey
LCYUXGBWDZZWJJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.57022
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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).

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PubChem ID
CID: 44452272
ChEMBL ID
CHEMBL260518
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: PT01498, 17-beta-hydroxysteroid dehydrogenase type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 3700 nM
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