Chemical Components in the PDB

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BPZ : Summary

Code

BPZ

One-letter code

X

Molecule name

4,4'-cyclohexane-1,1-diyldiphenol

Synonyms

4,4-Cyclohexylidenebisphenol, bisphenol Z

Systematic names

ProgramVersionName
ACDLabs 10.04 4,4'-cyclohexane-1,1-diyldiphenol
OpenEye OEToolkits 1.5.0 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol

Formula

C18 H20 O2

Formal charge

0

Molecular weight

268.35 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc1ccc(cc1)C3(c2ccc(O)cc2)CCCCC3
SMILES CACTVS 3.341 Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C2(CCCCC2)c3ccc(cc3)O)O
Canonical SMILES CACTVS 3.341 Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C2(CCCCC2)c3ccc(cc3)O)O

IUPAC InChI

InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2

IUPAC InChI key

SDDLEVPIDBLVHC-UHFFFAOYSA-N
BPZ

wwPDB Information

Atom count

40 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-03-18

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned