Chemical Components in the PDB

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LYL : Summary

Code

LYL

One-letter code

X

Molecule name

2-ALLYL-6-METHYL-PHENOL

Systematic names

ProgramVersionName
ACDLabs 10.04 2-methyl-6-prop-2-en-1-ylphenol
OpenEye OEToolkits 1.5.0 2-methyl-6-prop-2-enyl-phenol

Formula

C10 H12 O

Formal charge

0

Molecular weight

148.202 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc1c(cccc1C/C=C)C
SMILES CACTVS 3.341 Cc1cccc(CC=C)c1O
SMILES OpenEye OEToolkits 1.5.0 Cc1cccc(c1O)CC=C
Canonical SMILES CACTVS 3.341 Cc1cccc(CC=C)c1O
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1cccc(c1O)CC=C

IUPAC InChI

InChI=1S/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3

IUPAC InChI key

WREVCRYZAWNLRZ-UHFFFAOYSA-N
LYL

wwPDB Information

Atom count

23 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-03-28

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned