4-(6-methyl-2H-benzotriazol-4-yl)phenol

C13H11N3O — CID 135773218

IUPAC4-(6-methyl-2H-benzotriazol-4-yl)phenol
SMILESCc1cc(-c2ccc(O)cc2)c2n[nH]nc2c1
InChIInChI=1S/C13H11N3O/c1-8-6-11(9-2-4-10(17)5-3-9)13-12(7-8)14-16-15-13/h2-7,17H,1H3,(H,14,15,16)
InChIKeyPTIQQOGXPISSDX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.64
Rot. Bonds1

About 4-(6-methyl-2H-benzotriazol-4-yl)phenol

4-(6-methyl-2H-benzotriazol-4-yl)phenol (PubChem CID 135773218) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(6-methyl-2H-benzotriazol-4-yl)phenol.

Molecular Properties

Compound Name4-(6-methyl-2H-benzotriazol-4-yl)phenol
PubChem CID135773218
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-(6-methyl-2H-benzotriazol-4-yl)phenol
SMILESCc1cc(-c2ccc(O)cc2)c2n[nH]nc2c1
InChIInChI=1S/C13H11N3O/c1-8-6-11(9-2-4-10(17)5-3-9)13-12(7-8)14-16-15-13/h2-7,17H,1H3,(H,14,15,16)
InChIKeyPTIQQOGXPISSDX-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

benzene-1,4-diol;2H-benzotriazole
CID 160549478
4-[2-[[2-(4-hydroxyphenyl)-4-methylphenyl]methyl]-5-methylphenyl]phenol
CID 174190605
2-(2H-benzotriazol-4-yl)-6-hexadecyl-4-methylphenol
CID 141058122
5-methyl-2H-benzotriazole;molecular hydrogen
CID 142249958
4-(5-methyl-2-phosphanylphenyl)phenol
CID 142980688
4-methylphenol
CID 70549076
ethane;5-methyl-2H-benzotriazole
CID 91594051
hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol
CID 159043640
ethane;4-(4-methylphenyl)phenol
CID 161379556
5-phenyl-2H-benzotriazol-4-ol
CID 135671418
bis(4-methylphenol);tetrahydrochloride
CID 175346853
4-methylphenol;hydrate
CID 71777661

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2H-benzotriazol-4-yl)phenol?
The IUPAC name of 4-(6-methyl-2H-benzotriazol-4-yl)phenol (CID 135773218) is 4-(6-methyl-2H-benzotriazol-4-yl)phenol.
What is the SMILES notation for 4-(6-methyl-2H-benzotriazol-4-yl)phenol?
The canonical SMILES for 4-(6-methyl-2H-benzotriazol-4-yl)phenol is Cc1cc(-c2ccc(O)cc2)c2n[nH]nc2c1.
What is the InChIKey of 4-(6-methyl-2H-benzotriazol-4-yl)phenol?
The InChIKey is PTIQQOGXPISSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-6-11(9-2-4-10(17)5-3-9)13-12(7-8)14-16-15-13/h2-7,17H,1H3,(H,14,15,16).
What are the key properties of 4-(6-methyl-2H-benzotriazol-4-yl)phenol?
4-(6-methyl-2H-benzotriazol-4-yl)phenol 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 4-(6-methyl-2H-benzotriazol-4-yl)phenol is sourced from PubChem (CID 135773218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).