Chemical Components in the PDB

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0WV : Summary

Code

0WV

One-letter code

X

Molecule name

2-methyl-5-(prop-1-en-2-yl)phenol

Systematic names

ProgramVersionName
ACDLabs 12.01 2-methyl-5-(prop-1-en-2-yl)phenol
OpenEye OEToolkits 1.7.6 2-methyl-5-prop-1-en-2-yl-phenol

Formula

C10 H12 O

Formal charge

0

Molecular weight

148.202 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Oc1cc(\C(=C)C)ccc1C
SMILES CACTVS 3.370 CC(=C)c1ccc(C)c(O)c1
SMILES OpenEye OEToolkits 1.7.6 Cc1ccc(cc1O)C(=C)C
Canonical SMILES CACTVS 3.370 CC(=C)c1ccc(C)c(O)c1
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1ccc(cc1O)C(=C)C

IUPAC InChI

InChI=1S/C10H12O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-6,11H,1H2,2-3H3

IUPAC InChI key

HHTWOMMSBMNRKP-UHFFFAOYSA-N
0WV

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

2012-08-08

Last modified at

2012-08-24

Status

Released

Obsoleted

Not Assigned