2-(3-fluoro-4-methylphenyl)-1-(1-methyltriazol-4-yl)propan-2-ol

C13H16FN3O — CID 107046196

IUPAC2-(3-fluoro-4-methylphenyl)-1-(1-methyltriazol-4-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2cn(C)nn2)cc1F
InChIInChI=1S/C13H16FN3O/c1-9-4-5-10(6-12(9)14)13(2,18)7-11-8-17(3)16-15-11/h4-6,8,18H,7H2,1-3H3
InChIKeyOBUUGTCACSONSF-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.71
Rot. Bonds3

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

2-(3-fluoro-4-methylphenyl)-1-(1-methyltriazol-4-yl)propan-2-ol (PubChem CID 107046196) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-1-(1-methyltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-1-(1-methyltriazol-4-yl)propan-2-ol
PubChem CID107046196
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-(3-fluoro-4-methylphenyl)-1-(1-methyltriazol-4-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2cn(C)nn2)cc1F
InChIInChI=1S/C13H16FN3O/c1-9-4-5-10(6-12(9)14)13(2,18)7-11-8-17(3)16-15-11/h4-6,8,18H,7H2,1-3H3
InChIKeyOBUUGTCACSONSF-UHFFFAOYSA-N
XLogP1.71
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-1-(1-methyltriazol-4-yl)propan-2-ol?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-1-(1-methyltriazol-4-yl)propan-2-ol (CID 107046196) is 2-(3-fluoro-4-methylphenyl)-1-(1-methyltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-1-(1-methyltriazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-1-(1-methyltriazol-4-yl)propan-2-ol is Cc1ccc(C(C)(O)Cc2cn(C)nn2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-1-(1-methyltriazol-4-yl)propan-2-ol?
The InChIKey is OBUUGTCACSONSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-9-4-5-10(6-12(9)14)13(2,18)7-11-8-17(3)16-15-11/h4-6,8,18H,7H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-1-(1-methyltriazol-4-yl)propan-2-ol?
2-(3-fluoro-4-methylphenyl)-1-(1-methyltriazol-4-yl)propan-2-ol has a molecular weight of 249.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-1-(1-methyltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 107046196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).