2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol

C15H15N3O3 — CID 21390054

IUPAC2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol
SMILESCOc1cc(-n2nc3ccc(C)cc3n2)c(OC)cc1O
InChIInChI=1S/C15H15N3O3/c1-9-4-5-10-11(6-9)17-18(16-10)12-7-15(21-3)13(19)8-14(12)20-2/h4-8,19H,1-3H3
InChIKeyTWXAOAUHCYLTQX-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.45
Rot. Bonds3

About 2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol

2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol (PubChem CID 21390054) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol.

Molecular Properties

Compound Name2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol
PubChem CID21390054
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol
SMILESCOc1cc(-n2nc3ccc(C)cc3n2)c(OC)cc1O
InChIInChI=1S/C15H15N3O3/c1-9-4-5-10-11(6-9)17-18(16-10)12-7-15(21-3)13(19)8-14(12)20-2/h4-8,19H,1-3H3
InChIKeyTWXAOAUHCYLTQX-UHFFFAOYSA-N
XLogP2.45
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol?
The IUPAC name of 2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol (CID 21390054) is 2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol.
What is the SMILES notation for 2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol?
The canonical SMILES for 2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol is COc1cc(-n2nc3ccc(C)cc3n2)c(OC)cc1O.
What is the InChIKey of 2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol?
The InChIKey is TWXAOAUHCYLTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-4-5-10-11(6-9)17-18(16-10)12-7-15(21-3)13(19)8-14(12)20-2/h4-8,19H,1-3H3.
What are the key properties of 2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol?
2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol has a molecular weight of 285.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol is sourced from PubChem (CID 21390054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).