Chemical Components in the PDB

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ETY : Summary

Code

ETY

One-letter code

X

Molecule name

4-ethylphenol

Systematic names

ProgramVersionName
ACDLabs 10.04 4-ethylphenol
OpenEye OEToolkits 1.5.0 4-ethylphenol

Formula

C8 H10 O

Formal charge

0

Molecular weight

122.164 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc1ccc(cc1)CC
SMILES CACTVS 3.341 CCc1ccc(O)cc1
SMILES OpenEye OEToolkits 1.5.0 CCc1ccc(cc1)O
Canonical SMILES CACTVS 3.341 CCc1ccc(O)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 CCc1ccc(cc1)O

IUPAC InChI

InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3

IUPAC InChI key

HXDOZKJGKXYMEW-UHFFFAOYSA-N
ETY

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

2007-09-24

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned