1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol

C13H17N3O2 — CID 107047720

IUPAC1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2cn(C)nn2)cc1
InChIInChI=1S/C13H17N3O2/c1-16-9-11(14-15-16)8-12(17)7-10-3-5-13(18-2)6-4-10/h3-6,9,12,17H,7-8H2,1-2H3
InChIKeySKAGHTYMGNQAIU-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.97
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol

1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol (PubChem CID 107047720) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
PubChem CID107047720
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2cn(C)nn2)cc1
InChIInChI=1S/C13H17N3O2/c1-16-9-11(14-15-16)8-12(17)7-10-3-5-13(18-2)6-4-10/h3-6,9,12,17H,7-8H2,1-2H3
InChIKeySKAGHTYMGNQAIU-UHFFFAOYSA-N
XLogP0.97
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052817
4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063897
1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107048287
4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063943
1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045928
4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107047724
[1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107065873
1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047739
1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 62126980
1-(1-methyltriazol-4-yl)hexan-2-ol
CID 107046013

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol?
The IUPAC name of 1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol (CID 107047720) is 1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol is COc1ccc(CC(O)Cc2cn(C)nn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol?
The InChIKey is SKAGHTYMGNQAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-9-11(14-15-16)8-12(17)7-10-3-5-13(18-2)6-4-10/h3-6,9,12,17H,7-8H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol?
1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol has a molecular weight of 247.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 107047720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).