 |
EOL : Summary
Code 
|
EOL
|
One-letter code 
|
X
|
Molecule name 
|
2-methoxy-4-(prop-2-en-1-yl)phenol
|
Synonyms 
|
eugenol
|
Systematic names 
|
|
Formula 
|
C10 H12 O2
|
Formal charge 
|
0
|
Molecular weight 
|
164.201 Da
|
SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
Oc1ccc(cc1OC)C\C=C |
SMILES
|
CACTVS |
3.370 |
COc1cc(CC=C)ccc1O |
SMILES
|
OpenEye OEToolkits |
1.7.2 |
COc1cc(ccc1O)CC=C |
Canonical SMILES
|
CACTVS |
3.370 |
COc1cc(CC=C)ccc1O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.2 |
COc1cc(ccc1O)CC=C |
|
IUPAC InChI  | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 |
IUPAC InChI key  | RRAFCDWBNXTKKO-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count 
|
24 (12 without Hydrogen)
|
Polymer type 
|
Bound ligand
|
Type description 
|
NON-POLYMER
|
Type code 
|
HETAIN
|
Is modified 
|
No
|
Standard parent 
|
Not Assigned
|
Defined at 
|
2011-05-17
|
Last modified at 
|
2011-11-25
|
Status 
|
Released
|
Obsoleted 
|
Not Assigned
|
|