Chemical Components in the PDB

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JP4 : Summary

Code

JP4

One-letter code

X

Molecule name

[2-(morpholin-4-yl)phenyl]methanol

Systematic names

ProgramVersionName
ACDLabs 12.01 [2-(morpholin-4-yl)phenyl]methanol
OpenEye OEToolkits 2.0.6 (2-morpholin-4-ylphenyl)methanol

Formula

C11 H15 N O2

Formal charge

0

Molecular weight

193.242 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1COCCN1c2ccccc2CO
SMILES CACTVS 3.385 OCc1ccccc1N2CCOCC2
SMILES OpenEye OEToolkits 2.0.6 c1ccc(c(c1)CO)N2CCOCC2
Canonical SMILES CACTVS 3.385 OCc1ccccc1N2CCOCC2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(c(c1)CO)N2CCOCC2

IUPAC InChI

InChI=1S/C11H15NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,13H,5-9H2

IUPAC InChI key

MYGVYNRBQSAMIF-UHFFFAOYSA-N
JP4

wwPDB Information

Atom count

29 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-09-12

Last modified at

2018-10-05

Status

Released

Obsoleted

Not Assigned