2-(2-methoxyphenyl)benzotriazole

C13H11N3O — CID 12691726

IUPAC2-(2-methoxyphenyl)benzotriazole
SMILESCOc1ccccc1-n1nc2ccccc2n1
InChIInChI=1S/C13H11N3O/c1-17-13-9-5-4-8-12(13)16-14-10-6-2-3-7-11(10)15-16/h2-9H,1H3
InChIKeyBHSZBDOXLHZFTJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.43
Rot. Bonds2

About 2-(2-methoxyphenyl)benzotriazole

2-(2-methoxyphenyl)benzotriazole (PubChem CID 12691726) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)benzotriazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)benzotriazole
PubChem CID12691726
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-(2-methoxyphenyl)benzotriazole
SMILESCOc1ccccc1-n1nc2ccccc2n1
InChIInChI=1S/C13H11N3O/c1-17-13-9-5-4-8-12(13)16-14-10-6-2-3-7-11(10)15-16/h2-9H,1H3
InChIKeyBHSZBDOXLHZFTJ-UHFFFAOYSA-N
XLogP2.43
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-amine
CID 721106
7-methoxy-1H-1,2,3-benzotriazole
CID 590941
2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate
CID 702159
2-(4-Methoxyphenyl)-2H-1,2,3-benzotriazol-5-ylamine
CID 721101
1-(Phenoxymethyl)-1H-benzotriazole
CID 640750
2H-Benzotriazole, 2-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-
CID 577725
(Z)-benzotriazol-1-yl(p-anisylidene)amine
CID 5390937
2-(2-ethoxy-5-methylphenyl)-2H-benzotriazole
CID 717829
2-(2-methoxy-5-methylphenyl)-2H-benzotriazole
CID 576258
2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-benzotriazole
CID 10021763
2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-1H-benzotriazole
CID 10472257
2-(4-Methoxyphenyl)benzotriazole
CID 658624

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)benzotriazole?
The IUPAC name of 2-(2-methoxyphenyl)benzotriazole (CID 12691726) is 2-(2-methoxyphenyl)benzotriazole.
What is the SMILES notation for 2-(2-methoxyphenyl)benzotriazole?
The canonical SMILES for 2-(2-methoxyphenyl)benzotriazole is COc1ccccc1-n1nc2ccccc2n1.
What is the InChIKey of 2-(2-methoxyphenyl)benzotriazole?
The InChIKey is BHSZBDOXLHZFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-13-9-5-4-8-12(13)16-14-10-6-2-3-7-11(10)15-16/h2-9H,1H3.
What are the key properties of 2-(2-methoxyphenyl)benzotriazole?
2-(2-methoxyphenyl)benzotriazole has a molecular weight of 225.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)benzotriazole is sourced from PubChem (CID 12691726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).