Chemical Components in the PDB

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8KW : Summary

Code

8KW

One-letter code

X

Molecule name

3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol

Formula

C15 H16 O3

Formal charge

0

Molecular weight

244.286 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1cc(O)cc(CCc2ccccc2O)c1
SMILES OpenEye OEToolkits 2.0.6 COc1cc(cc(c1)O)CCc2ccccc2O
Canonical SMILES CACTVS 3.385 COc1cc(O)cc(CCc2ccccc2O)c1
Canonical SMILES OpenEye OEToolkits 2.0.6 COc1cc(cc(c1)O)CCc2ccccc2O

IUPAC InChI

InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3

IUPAC InChI key

IUMFLNFLJUUODE-UHFFFAOYSA-N
8KW

wwPDB Information

Atom count

34 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-02-09

Last modified at

2017-03-24

Status

Released

Obsoleted

Not Assigned