General Information of the Compound
Compound ID
CP0079715
Compound Name
1-hydroxy-5-methyl-2-isopropylbenzene
    Show/Hide
Synonyms
1-Hydroxy-5-methyl-2-isopropylbenzene
2-Isopropyl-5-methylphenol
3-Hydroxy-p-cymene
3-Methyl-6-isopropylphenol
3-p-Cymenol
5-Methyl-2-(1-methylethyl)phenol
5-Methyl-2-isopropyl-1-phenol
5-Methyl-2-isopropylphenol
5-methyl-2-(propan-2-yl)phenol
6-Isopropyl-3-methylphenol
6-Isopropyl-m-cresol
6-Isopropyl-p-cresol
89-83-8
Isopropyl cresol
Phenol, 2-isopropyl-5-
Phenol, 5-methyl-2-(1-methylethyl)-
THYMOL
Thyme camphor
Thymic acid
Thymol
Thymol (natural)
m-Cresol, 6-isopropyl-
m-Thymol
p-Cymen-3-ol
p-Cymene, 3-hydroxy-
    Show/Hide
Structure
Formula
C10H14O
Molecular Weight
150.221
Canonical SMILES
CC(C)c1ccc(C)cc1O
    Show/Hide
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
    Show/Hide
InChIKey
MGSRCZKZVOBKFT-UHFFFAOYSA-N
CAS
89-83-8
Physicochemical Property
logP
2.82402
Rotatable Bonds
1
Heavy Atom Count
11
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
11

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 6989
SID: 15321622
ChEMBL ID
CHEMBL29411
DrugBank ID
DB02513
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00633, Heat sensitive channel TRPV3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 29000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 20000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 62500 nM
2 EC50 = 86900 nM
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 52200 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Thymol )
Drug Name Thymol
Indication
Fungal infection
Approved