2-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-2-ol

C12H14FN3O2 — CID 113461334

IUPAC2-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-2-ol
SMILESCOc1ccc(F)c(-n2cc(C(C)(C)O)nn2)c1
InChIInChI=1S/C12H14FN3O2/c1-12(2,17)11-7-16(15-14-11)10-6-8(18-3)4-5-9(10)13/h4-7,17H,1-3H3
InChIKeyFNCOQPFIHWFIOS-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.64
Rot. Bonds3

About 2-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-2-ol

2-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-2-ol (PubChem CID 113461334) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-2-ol
PubChem CID113461334
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name2-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-2-ol
SMILESCOc1ccc(F)c(-n2cc(C(C)(C)O)nn2)c1
InChIInChI=1S/C12H14FN3O2/c1-12(2,17)11-7-16(15-14-11)10-6-8(18-3)4-5-9(10)13/h4-7,17H,1-3H3
InChIKeyFNCOQPFIHWFIOS-UHFFFAOYSA-N
XLogP1.64
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-2-ol (CID 113461334) is 2-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-2-ol is COc1ccc(F)c(-n2cc(C(C)(C)O)nn2)c1.
What is the InChIKey of 2-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-2-ol?
The InChIKey is FNCOQPFIHWFIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-12(2,17)11-7-16(15-14-11)10-6-8(18-3)4-5-9(10)13/h4-7,17H,1-3H3.
What are the key properties of 2-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-2-ol?
2-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-2-ol has a molecular weight of 251.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-2-ol is sourced from PubChem (CID 113461334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).