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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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).