Chemical Components in the PDB

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EOL : Summary

Code

EOL

One-letter code

X

Molecule name

2-methoxy-4-(prop-2-en-1-yl)phenol

Synonyms

eugenol

Systematic names

ProgramVersionName
ACDLabs 12.01 2-methoxy-4-(prop-2-en-1-yl)phenol
OpenEye OEToolkits 1.7.2 2-methoxy-4-prop-2-enyl-phenol

Formula

C10 H12 O2

Formal charge

0

Molecular weight

164.201 Da

SMILES

TypeProgramVersionDescriptor
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
EOL

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