2-(5,6-dichlorobenzotriazol-2-yl)-4-methylphenol

C13H9Cl2N3O — CID 22388753

IUPAC2-(5,6-dichlorobenzotriazol-2-yl)-4-methylphenol
SMILESCc1ccc(O)c(-n2nc3cc(Cl)c(Cl)cc3n2)c1
InChIInChI=1S/C13H9Cl2N3O/c1-7-2-3-13(19)12(4-7)18-16-10-5-8(14)9(15)6-11(10)17-18/h2-6,19H,1H3
InChIKeyLOPXIGZYSAOSOK-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.74
Rot. Bonds1

About 2-(5,6-dichlorobenzotriazol-2-yl)-4-methylphenol

2-(5,6-dichlorobenzotriazol-2-yl)-4-methylphenol (PubChem CID 22388753) has the molecular formula C13H9Cl2N3O and a molecular weight of 294.14 g/mol. Its IUPAC name is 2-(5,6-dichlorobenzotriazol-2-yl)-4-methylphenol.

Molecular Properties

Compound Name2-(5,6-dichlorobenzotriazol-2-yl)-4-methylphenol
PubChem CID22388753
Molecular FormulaC13H9Cl2N3O
Molecular Weight294.14 g/mol
Exact Mass293.01
IUPAC Name2-(5,6-dichlorobenzotriazol-2-yl)-4-methylphenol
SMILESCc1ccc(O)c(-n2nc3cc(Cl)c(Cl)cc3n2)c1
InChIInChI=1S/C13H9Cl2N3O/c1-7-2-3-13(19)12(4-7)18-16-10-5-8(14)9(15)6-11(10)17-18/h2-6,19H,1H3
InChIKeyLOPXIGZYSAOSOK-UHFFFAOYSA-N
XLogP3.74
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5,6-dichlorobenzotriazol-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

Drometrizole
CID 17113
Tinuvin
CID 62531
2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol
CID 77470
2-(Benzotriazol-2-yl)-6-chloro-4-methylphenol
CID 1548153
Phenol, 2-(2H-benzotriazol-2-yl)-4-dodecyl-
CID 76594
4-(5,6-Dichlorobenzotriazol-2-yl)phenol
CID 127035088
5,6-Dichloro-2-[(4-methoxyphenyl)methyl]benzotriazole
CID 127035179
Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-
CID 3014188
2-(2'-Hydroxy-5'-octylphenyl)-benzotriazole
CID 11500765
2(2-hydroxy-5-vinylphenyl)2H-benzotriazole
CID 14418980
2-(2'-Hydroxy-5'-ethylphenyl)benzotriazole
CID 15399049
2-Tert-butyl-6-(6-chloro-1-oxidobenzotriazol-1-ium-2-yl)-4-methylphenol
CID 10903683

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichlorobenzotriazol-2-yl)-4-methylphenol?
The IUPAC name of 2-(5,6-dichlorobenzotriazol-2-yl)-4-methylphenol (CID 22388753) is 2-(5,6-dichlorobenzotriazol-2-yl)-4-methylphenol.
What is the SMILES notation for 2-(5,6-dichlorobenzotriazol-2-yl)-4-methylphenol?
The canonical SMILES for 2-(5,6-dichlorobenzotriazol-2-yl)-4-methylphenol is Cc1ccc(O)c(-n2nc3cc(Cl)c(Cl)cc3n2)c1.
What is the InChIKey of 2-(5,6-dichlorobenzotriazol-2-yl)-4-methylphenol?
The InChIKey is LOPXIGZYSAOSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O/c1-7-2-3-13(19)12(4-7)18-16-10-5-8(14)9(15)6-11(10)17-18/h2-6,19H,1H3.
What are the key properties of 2-(5,6-dichlorobenzotriazol-2-yl)-4-methylphenol?
2-(5,6-dichlorobenzotriazol-2-yl)-4-methylphenol has a molecular weight of 294.14 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichlorobenzotriazol-2-yl)-4-methylphenol is sourced from PubChem (CID 22388753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).