IUPAC name
1-(2-hydroxyphenyl)-1-butanone
SMILES
CCCC(=O)c1ccccc1O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
fenjuntong
IUPAC name
1-(2-hydroxyphenyl)-1-butanone
SMILES
CCCC(=O)c1ccccc1O
INCHI
InChI=1S/C10H12O2/c1-2-5-9(11)8-6-3-4-7-10(8)12/h3-4,6-7,12H,2,5H2,1H3
FORMULA
C10H12O2
Common name
fenjuntong
IUPAC name
1-(2-hydroxyphenyl)-1-butanone
Molecular weight
164.201
clogP
2.362
clogS
-2.353
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
37.3
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00098 | acetaldehyde |
|
CC=O | 0.0182 |
| FDBF00988 | butanal |
|
C(CC)C=O | 0.0021 |
| FDBF02679 | 2-hydroxybenzaldehyde |
|
c1(c(cccc1)O)C=O | 0.0010 |
| FDBF02681 | 1-(2-hydroxyphenyl)ethanone |
|
c1(c(cccc1)O)C(=O)C | 0.0014 |
6 ,
1
