Chemical Components in the PDB

pdbe.org/chem
spacer

0OP : Summary

Code

0OP

One-letter code

X

Molecule name

[3-(benzyloxy)phenyl]methanol

Systematic names

ProgramVersionName
ACDLabs 12.01 [3-(benzyloxy)phenyl]methanol
OpenEye OEToolkits 1.7.6 (3-phenylmethoxyphenyl)methanol

Formula

C14 H14 O2

Formal charge

0

Molecular weight

214.26 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O(c1cc(ccc1)CO)Cc2ccccc2
SMILES CACTVS 3.370 OCc1cccc(OCc2ccccc2)c1
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)COc2cccc(c2)CO
Canonical SMILES CACTVS 3.370 OCc1cccc(OCc2ccccc2)c1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)COc2cccc(c2)CO

IUPAC InChI

InChI=1S/C14H14O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2

IUPAC InChI key

AFKLSWIRJUJWKY-UHFFFAOYSA-N
0OP

wwPDB Information

Atom count

30 (16 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