2-(benzotriazol-2-yl)-4-methylphenol

C13H11N3O — CID 17113

💊View drug profile → drometrizole
IUPAC2-(benzotriazol-2-yl)-4-methylphenol
SMILESCc1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
InChIKeyMCPKSFINULVDNX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.43
Rot. Bonds1

About 2-(benzotriazol-2-yl)-4-methylphenol

2-(benzotriazol-2-yl)-4-methylphenol (PubChem CID 17113) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-methylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-methylphenol
PubChem CID17113
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-(benzotriazol-2-yl)-4-methylphenol
SMILESCc1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
InChIKeyMCPKSFINULVDNX-UHFFFAOYSA-N
XLogP2.43
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(benzotriazol-2-yl)-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

UV-328
CID 33263
Octrizole
CID 62485
2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol
CID 112412
2-(2'-Hydroxy-3'5-di-tert-butylphenyl) benzotriazole
CID 77455
Benzeneethanol, 3-(2H-benzotriazol-2-yl)-4-hydroxy-
CID 688251
Drometrizole trisiloxane
CID 9848888
4-tert-Butyl-6-sec-butyl-2-(2H-benzotriazol-2-yl)phenol
CID 118327
2-Propenoic acid, 2-methyl-, 2-[3-(2H-benzotriazol-2-yl)-4-hydroxyphenyl]ethyl ester
CID 726893
2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol
CID 805146
2-(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole
CID 86375
2-(2H-Benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol
CID 9803353
Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-
CID 76605

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-methylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-methylphenol (CID 17113) is 2-(benzotriazol-2-yl)-4-methylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-methylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-methylphenol is Cc1ccc(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-methylphenol?
The InChIKey is MCPKSFINULVDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3.
What are the key properties of 2-(benzotriazol-2-yl)-4-methylphenol?
2-(benzotriazol-2-yl)-4-methylphenol has a molecular weight of 225.25 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4-methylphenol is sourced from PubChem (CID 17113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).