Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

E9P : Summary

Code

E9P

One-letter code

X

Molecule name

5-ETHYL-2-PHENOXYPHENOL

Systematic names

ProgramVersionName
ACDLabs 12.01 5-ethyl-2-phenoxyphenol
OpenEye OEToolkits 1.9.2 5-ethyl-2-phenoxy-phenol

Formula

C14 H14 O2

Formal charge

0

Molecular weight

214.26 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O(c1ccccc1)c2ccc(cc2O)CC
SMILES CACTVS 3.385 CCc1ccc(Oc2ccccc2)c(O)c1
SMILES OpenEye OEToolkits 1.9.2 CCc1ccc(c(c1)O)Oc2ccccc2
Canonical SMILES CACTVS 3.385 CCc1ccc(Oc2ccccc2)c(O)c1
Canonical SMILES OpenEye OEToolkits 1.9.2 CCc1ccc(c(c1)O)Oc2ccccc2

IUPAC InChI

InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3

IUPAC InChI key

XZOPHRPAUNJURP-UHFFFAOYSA-N
E9P

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

Is modified

No

Standard parent

Not Assigned

Defined at

2012-03-04

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned