2-(4-methoxyphenyl)benzotriazole

C13H11N3O — CID 658624

IUPAC2-(4-methoxyphenyl)benzotriazole
SMILESCOc1ccc(-n2nc3ccccc3n2)cc1
InChIInChI=1S/C13H11N3O/c1-17-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)15-16/h2-9H,1H3
InChIKeyNIRODTDWIZYNHE-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.43
Rot. Bonds2

About 2-(4-methoxyphenyl)benzotriazole

2-(4-methoxyphenyl)benzotriazole (PubChem CID 658624) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)benzotriazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)benzotriazole
PubChem CID658624
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-(4-methoxyphenyl)benzotriazole
SMILESCOc1ccc(-n2nc3ccccc3n2)cc1
InChIInChI=1S/C13H11N3O/c1-17-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)15-16/h2-9H,1H3
InChIKeyNIRODTDWIZYNHE-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
2-(4-Methoxyphenyl)-2H-1,2,3-benzotriazol-5-ylamine
CID 721101
5-Methoxy-2,1,3-benzothiadiazole
CID 2781245
1-(Phenoxymethyl)-1H-benzotriazole
CID 640750
(Z)-benzotriazol-1-yl(p-anisylidene)amine
CID 5390937
2-(2-ethoxy-5-methylphenyl)-2H-benzotriazole
CID 717829
2,1,3-Benzoselenadiazole, 5-methoxy-
CID 357317
2-(2-Methoxy-5-methylphenyl)benzotriazole
CID 576258
2-(5,6-Dimethoxybenzotriazol-2-yl)aniline
CID 315157
4-(Benzotriazol-2-yl)phenol
CID 1237088
1H-Benzotriazole, 6-(pentyloxy)-, sodium salt (1:1)
CID 44149240
2-[2-(2-ethoxyphenoxy)ethyl]-2H-1,2,3-benzotriazole
CID 23723253

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)benzotriazole?
The IUPAC name of 2-(4-methoxyphenyl)benzotriazole (CID 658624) is 2-(4-methoxyphenyl)benzotriazole.
What is the SMILES notation for 2-(4-methoxyphenyl)benzotriazole?
The canonical SMILES for 2-(4-methoxyphenyl)benzotriazole is COc1ccc(-n2nc3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)benzotriazole?
The InChIKey is NIRODTDWIZYNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)15-16/h2-9H,1H3.
What are the key properties of 2-(4-methoxyphenyl)benzotriazole?
2-(4-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-(4-methoxyphenyl)benzotriazole is sourced from PubChem (CID 658624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).