1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol

C18H21N3O3 — CID 56968076

IUPAC1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol
SMILESCOc1cc2ccc(C(O)(c3cn[nH]n3)C(C)C)cc2cc1OC
InChIInChI=1S/C18H21N3O3/c1-11(2)18(22,17-10-19-21-20-17)14-6-5-12-8-15(23-3)16(24-4)9-13(12)7-14/h5-11,22H,1-4H3,(H,19,20,21)
InChIKeyZBZKIRAMMFHRIY-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.87
Rot. Bonds5

About 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol

1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol (PubChem CID 56968076) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol
PubChem CID56968076
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol
SMILESCOc1cc2ccc(C(O)(c3cn[nH]n3)C(C)C)cc2cc1OC
InChIInChI=1S/C18H21N3O3/c1-11(2)18(22,17-10-19-21-20-17)14-6-5-12-8-15(23-3)16(24-4)9-13(12)7-14/h5-11,22H,1-4H3,(H,19,20,21)
InChIKeyZBZKIRAMMFHRIY-UHFFFAOYSA-N
XLogP2.87
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol?
The IUPAC name of 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol (CID 56968076) is 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol is COc1cc2ccc(C(O)(c3cn[nH]n3)C(C)C)cc2cc1OC.
What is the InChIKey of 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol?
The InChIKey is ZBZKIRAMMFHRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11(2)18(22,17-10-19-21-20-17)14-6-5-12-8-15(23-3)16(24-4)9-13(12)7-14/h5-11,22H,1-4H3,(H,19,20,21).
What are the key properties of 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol?
1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol has a molecular weight of 327.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-ol is sourced from PubChem (CID 56968076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).