2-[1-(4-methoxyphenyl)triazol-4-yl]propan-2-ol

C12H15N3O2 — CID 58350883

IUPAC2-[1-(4-methoxyphenyl)triazol-4-yl]propan-2-ol
SMILESCOc1ccc(-n2cc(C(C)(C)O)nn2)cc1
InChIInChI=1S/C12H15N3O2/c1-12(2,16)11-8-15(14-13-11)9-4-6-10(17-3)7-5-9/h4-8,16H,1-3H3
InChIKeyZIIPSGGGUVVPPP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.50
Rot. Bonds3

About 2-[1-(4-methoxyphenyl)triazol-4-yl]propan-2-ol

2-[1-(4-methoxyphenyl)triazol-4-yl]propan-2-ol (PubChem CID 58350883) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)triazol-4-yl]propan-2-ol
PubChem CID58350883
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[1-(4-methoxyphenyl)triazol-4-yl]propan-2-ol
SMILESCOc1ccc(-n2cc(C(C)(C)O)nn2)cc1
InChIInChI=1S/C12H15N3O2/c1-12(2,16)11-8-15(14-13-11)9-4-6-10(17-3)7-5-9/h4-8,16H,1-3H3
InChIKeyZIIPSGGGUVVPPP-UHFFFAOYSA-N
XLogP1.50
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(4-methoxyphenyl)triazol-4-yl]propan-2-ol (CID 58350883) is 2-[1-(4-methoxyphenyl)triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(4-methoxyphenyl)triazol-4-yl]propan-2-ol is COc1ccc(-n2cc(C(C)(C)O)nn2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)triazol-4-yl]propan-2-ol?
The InChIKey is ZIIPSGGGUVVPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,16)11-8-15(14-13-11)9-4-6-10(17-3)7-5-9/h4-8,16H,1-3H3.
What are the key properties of 2-[1-(4-methoxyphenyl)triazol-4-yl]propan-2-ol?
2-[1-(4-methoxyphenyl)triazol-4-yl]propan-2-ol has a molecular weight of 233.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)triazol-4-yl]propan-2-ol is sourced from PubChem (CID 58350883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).