Chemical Components in the PDB

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PEL : Summary

Code

PEL

One-letter code

X

Molecule name

2-PHENYL-ETHANOL

Systematic names

ProgramVersionName
ACDLabs 10.04 2-phenylethanol
OpenEye OEToolkits 1.5.0 2-phenylethanol

Formula

C8 H10 O

Formal charge

0

Molecular weight

122.164 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCCc1ccccc1
SMILES CACTVS 3.341 OCCc1ccccc1
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CCO
Canonical SMILES CACTVS 3.341 OCCc1ccccc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CCO

IUPAC InChI

InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

IUPAC InChI key

WRMNZCZEMHIOCP-UHFFFAOYSA-N
PEL

wwPDB Information

Atom count

19 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-06-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned