Chemical Components in the PDB

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DFH : Summary

Code

DFH

One-letter code

X

Molecule name

1,1-diphenylethanol

Systematic names

ProgramVersionName
ACDLabs 12.01 1,1-diphenylethanol
OpenEye OEToolkits 1.7.6 1,1-diphenylethanol

Formula

C14 H14 O

Formal charge

0

Molecular weight

198.26 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC(c1ccccc1)(c2ccccc2)C
SMILES CACTVS 3.370 CC(O)(c1ccccc1)c2ccccc2
SMILES OpenEye OEToolkits 1.7.6 CC(c1ccccc1)(c2ccccc2)O
Canonical SMILES CACTVS 3.370 CC(O)(c1ccccc1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(c1ccccc1)(c2ccccc2)O

IUPAC InChI

InChI=1S/C14H14O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15H,1H3

IUPAC InChI key

GIMDPFBLSKQRNP-UHFFFAOYSA-N
DFH

wwPDB Information

Atom count

29 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-05-25

Last modified at

2012-07-06

Status

Released

Obsoleted

Not Assigned