Chemical Components in the PDB

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IPB : Summary

Code

IPB

One-letter code

X

Molecule name

5-METHYL-2-(1-METHYLETHYL)PHENOL

Systematic names

ProgramVersionName
ACDLabs 10.04 5-methyl-2-(1-methylethyl)phenol
OpenEye OEToolkits 1.5.0 5-methyl-2-propan-2-yl-phenol

Formula

C10 H14 O

Formal charge

0

Molecular weight

150.218 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc1cc(ccc1C(C)C)C
SMILES CACTVS 3.341 CC(C)c1ccc(C)cc1O
SMILES OpenEye OEToolkits 1.5.0 Cc1ccc(c(c1)O)C(C)C
Canonical SMILES CACTVS 3.341 CC(C)c1ccc(C)cc1O
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1ccc(c(c1)O)C(C)C

IUPAC InChI

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

IUPAC InChI key

MGSRCZKZVOBKFT-UHFFFAOYSA-N
IPB

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

2000-03-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned