Chemical Components in the PDB

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H4Q : Summary

Code

H4Q

One-letter code

X

Molecule name

4-[(2~{R})-butan-2-yl]phenol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-[(2~{R})-butan-2-yl]phenol

Formula

C10 H14 O

Formal charge

0

Molecular weight

150.218 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC[CH](C)c1ccc(O)cc1
SMILES OpenEye OEToolkits 2.0.6 CCC(C)c1ccc(cc1)O
Canonical SMILES CACTVS 3.385 CC[C@@H](C)c1ccc(O)cc1
Canonical SMILES OpenEye OEToolkits 2.0.6 CC[C@@H](C)c1ccc(cc1)O

IUPAC InChI

InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3/t8-/m1/s1

IUPAC InChI key

ZUTYZAFDFLLILI-MRVPVSSYSA-N
H4Q

wwPDB Information

Atom count

25 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-11-16

Last modified at

2019-06-28

Status

Released

Obsoleted

Not Assigned