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

C13H11N3O — CID 135828214

IUPAC2-(2H-benzotriazol-4-yl)-4-methylphenol
SMILESCc1ccc(O)c(-c2cccc3n[nH]nc23)c1
InChIInChI=1S/C13H11N3O/c1-8-5-6-12(17)10(7-8)9-3-2-4-11-13(9)15-16-14-11/h2-7,17H,1H3,(H,14,15,16)
InChIKeyJHDNFMVFXUETMC-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.64
Rot. Bonds1

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

2-(2H-benzotriazol-4-yl)-4-methylphenol (PubChem CID 135828214) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(2H-benzotriazol-4-yl)-4-methylphenol.

Molecular Properties

Compound Name2-(2H-benzotriazol-4-yl)-4-methylphenol
PubChem CID135828214
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-(2H-benzotriazol-4-yl)-4-methylphenol
SMILESCc1ccc(O)c(-c2cccc3n[nH]nc23)c1
InChIInChI=1S/C13H11N3O/c1-8-5-6-12(17)10(7-8)9-3-2-4-11-13(9)15-16-14-11/h2-7,17H,1H3,(H,14,15,16)
InChIKeyJHDNFMVFXUETMC-UHFFFAOYSA-N
XLogP2.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Drometrizole
CID 17113
Octrizole
CID 62485
UV-328
CID 33263
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
4-tert-Butyl-6-sec-butyl-2-(2H-benzotriazol-2-yl)phenol
CID 118327
Benzeneethanol, 3-(2H-benzotriazol-2-yl)-4-hydroxy-
CID 688251
2-(2H-Benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol
CID 9803353
2-(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole
CID 86375
2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol
CID 735573
Phenol, 2-(2H-benzotriazol-2-yl)-4-dodecyl-
CID 76594
2-(2H-Benzotriazol-2-yl)-4,6-bis(2,2-dimethylpropyl)phenol
CID 14297369

Frequently Asked Questions

What is the IUPAC name of 2-(2H-benzotriazol-4-yl)-4-methylphenol?
The IUPAC name of 2-(2H-benzotriazol-4-yl)-4-methylphenol (CID 135828214) is 2-(2H-benzotriazol-4-yl)-4-methylphenol.
What is the SMILES notation for 2-(2H-benzotriazol-4-yl)-4-methylphenol?
The canonical SMILES for 2-(2H-benzotriazol-4-yl)-4-methylphenol is Cc1ccc(O)c(-c2cccc3n[nH]nc23)c1.
What is the InChIKey of 2-(2H-benzotriazol-4-yl)-4-methylphenol?
The InChIKey is JHDNFMVFXUETMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-5-6-12(17)10(7-8)9-3-2-4-11-13(9)15-16-14-11/h2-7,17H,1H3,(H,14,15,16).
What are the key properties of 2-(2H-benzotriazol-4-yl)-4-methylphenol?
2-(2H-benzotriazol-4-yl)-4-methylphenol has a molecular weight of 225.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-benzotriazol-4-yl)-4-methylphenol is sourced from PubChem (CID 135828214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).