6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole

C13H9Cl2N3O — CID 7696637

IUPAC6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole
SMILESClc1cccc(COn2nnc3ccc(Cl)cc32)c1
InChIInChI=1S/C13H9Cl2N3O/c14-10-3-1-2-9(6-10)8-19-18-13-7-11(15)4-5-12(13)16-17-18/h1-7H,8H2
InChIKeySCAYJVPURICKJN-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.37
Rot. Bonds3

About 6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole

6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole (PubChem CID 7696637) has the molecular formula C13H9Cl2N3O and a molecular weight of 294.14 g/mol. Its IUPAC name is 6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole.

Molecular Properties

Compound Name6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole
PubChem CID7696637
Molecular FormulaC13H9Cl2N3O
Molecular Weight294.14 g/mol
Exact Mass293.01
IUPAC Name6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole
SMILESClc1cccc(COn2nnc3ccc(Cl)cc32)c1
InChIInChI=1S/C13H9Cl2N3O/c14-10-3-1-2-9(6-10)8-19-18-13-7-11(15)4-5-12(13)16-17-18/h1-7H,8H2
InChIKeySCAYJVPURICKJN-UHFFFAOYSA-N
XLogP3.37
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole 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

6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole
CID 7919256
4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide
CID 7697148
6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole
CID 27070472
6-chloro-1-(3-methoxypropoxy)benzotriazole
CID 75522050
1-[(2,4-dichlorophenyl)methoxy]benzotriazole
CID 682205
2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole
CID 9354749
1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone
CID 7696725
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide
CID 2108008
6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole
CID 2764991
1-[(4-bromophenyl)methoxy]benzotriazole
CID 2966833
methyl 3-[(4-methoxycarbonylphenyl)methoxy]benzotriazole-5-carboxylate
CID 7705938

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole?
The IUPAC name of 6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole (CID 7696637) is 6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole.
What is the SMILES notation for 6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole?
The canonical SMILES for 6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole is Clc1cccc(COn2nnc3ccc(Cl)cc32)c1.
What is the InChIKey of 6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole?
The InChIKey is SCAYJVPURICKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O/c14-10-3-1-2-9(6-10)8-19-18-13-7-11(15)4-5-12(13)16-17-18/h1-7H,8H2.
What are the key properties of 6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole?
6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole has a molecular weight of 294.14 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole is sourced from PubChem (CID 7696637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).