Chemical Components in the PDB

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S5V : Summary

Code

S5V

One-letter code

X

Molecule name

2-methyl-5-propan-2-yl-phenol

Systematic names

ProgramVersionName
OpenEye OEToolkits 3.1.0.0 2-methyl-5-propan-2-yl-phenol

Formula

C10 H14 O

Formal charge

0

Molecular weight

150.218 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)c1ccc(C)c(O)c1
SMILES OpenEye OEToolkits 3.1.0.0 Cc1ccc(cc1O)C(C)C
Canonical SMILES CACTVS 3.385 CC(C)c1ccc(C)c(O)c1
Canonical SMILES OpenEye OEToolkits 3.1.0.0 Cc1ccc(cc1O)C(C)C

IUPAC InChI

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

IUPAC InChI key

RECUKUPTGUEGMW-UHFFFAOYSA-N
S5V

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

2022-12-13

Last modified at

2023-03-17

Status

Released

Obsoleted

Not Assigned