4-(benzotriazol-2-yl)-2,5-dimethoxyphenol

C14H13N3O3 — CID 21390051

IUPAC4-(benzotriazol-2-yl)-2,5-dimethoxyphenol
SMILESCOc1cc(-n2nc3ccccc3n2)c(OC)cc1O
InChIInChI=1S/C14H13N3O3/c1-19-13-8-12(18)14(20-2)7-11(13)17-15-9-5-3-4-6-10(9)16-17/h3-8,18H,1-2H3
InChIKeyVWSGQRJGAQINBQ-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.14
Rot. Bonds3

About 4-(benzotriazol-2-yl)-2,5-dimethoxyphenol

4-(benzotriazol-2-yl)-2,5-dimethoxyphenol (PubChem CID 21390051) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-(benzotriazol-2-yl)-2,5-dimethoxyphenol.

Molecular Properties

Compound Name4-(benzotriazol-2-yl)-2,5-dimethoxyphenol
PubChem CID21390051
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name4-(benzotriazol-2-yl)-2,5-dimethoxyphenol
SMILESCOc1cc(-n2nc3ccccc3n2)c(OC)cc1O
InChIInChI=1S/C14H13N3O3/c1-19-13-8-12(18)14(20-2)7-11(13)17-15-9-5-3-4-6-10(9)16-17/h3-8,18H,1-2H3
InChIKeyVWSGQRJGAQINBQ-UHFFFAOYSA-N
XLogP2.14
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Methoxyphenyl)benzotriazol-5-ol
CID 135452697
2-(Benzotriazol-2-yl)-5-ethoxyphenol
CID 54306055
2-(2,6-Dimethoxyphenyl)benzotriazole
CID 12691725
2(2,6-Dihydroxy-4-undecenoxyphenyl)2h-benzotriazole
CID 129721566
2(2-Hydroxy-4-undecenoxyphenyl) 2h-benzotriazole
CID 129721594
2[2-Hydroxy-4-acryloxy(methacryloxy)phenyl]2h-benzotriazole
CID 129837427
2-(2,4-Dimethoxyphenyl)benzotriazole
CID 10923108
2-(2-Hydroxy-5-methoxyphenyl)benzotriazole
CID 11160823
2-(2-Hydroxy-4-isobutoxyphenyl)-2h-benzotriazole
CID 11231417
4-(5-Methoxybenzotriazol-2-yl)benzene-1,3-diol
CID 13622660
2-(5-Methoxybenzotriazol-2-yl)benzene-1,3,5-triol
CID 13622661
2-(2H-benzotriazol-2-yl)-5-methoxyPhenol
CID 13953258

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-2-yl)-2,5-dimethoxyphenol?
The IUPAC name of 4-(benzotriazol-2-yl)-2,5-dimethoxyphenol (CID 21390051) is 4-(benzotriazol-2-yl)-2,5-dimethoxyphenol.
What is the SMILES notation for 4-(benzotriazol-2-yl)-2,5-dimethoxyphenol?
The canonical SMILES for 4-(benzotriazol-2-yl)-2,5-dimethoxyphenol is COc1cc(-n2nc3ccccc3n2)c(OC)cc1O.
What is the InChIKey of 4-(benzotriazol-2-yl)-2,5-dimethoxyphenol?
The InChIKey is VWSGQRJGAQINBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-19-13-8-12(18)14(20-2)7-11(13)17-15-9-5-3-4-6-10(9)16-17/h3-8,18H,1-2H3.
What are the key properties of 4-(benzotriazol-2-yl)-2,5-dimethoxyphenol?
4-(benzotriazol-2-yl)-2,5-dimethoxyphenol has a molecular weight of 271.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-2-yl)-2,5-dimethoxyphenol is sourced from PubChem (CID 21390051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).