Chemical Components in the PDB

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0OO : Summary

Code

0OO

One-letter code

X

Molecule name

(3-phenoxyphenyl)methanol

Systematic names

ProgramVersionName
ACDLabs 12.01 (3-phenoxyphenyl)methanol
OpenEye OEToolkits 1.7.6 (3-phenoxyphenyl)methanol

Formula

C13 H12 O2

Formal charge

0

Molecular weight

200.233 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O(c1ccccc1)c2cc(ccc2)CO
SMILES CACTVS 3.370 OCc1cccc(Oc2ccccc2)c1
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)Oc2cccc(c2)CO
Canonical SMILES CACTVS 3.370 OCc1cccc(Oc2ccccc2)c1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)Oc2cccc(c2)CO

IUPAC InChI

InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2

IUPAC InChI key

KGANAERDZBAECK-UHFFFAOYSA-N
0OO

wwPDB Information

Atom count

27 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-04-03

Last modified at

2012-11-30

Status

Released

Obsoleted

Not Assigned