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

C12H14FN3O2 — CID 138020565

IUPAC1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol
SMILESCc1cn(CC(O)COc2ccc(F)cc2)nn1
InChIInChI=1S/C12H14FN3O2/c1-9-6-16(15-14-9)7-11(17)8-18-12-4-2-10(13)3-5-12/h2-6,11,17H,7-8H2,1H3
InChIKeyWMOHCGUAELAIDL-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.17
Rot. Bonds5

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

1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol (PubChem CID 138020565) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol
PubChem CID138020565
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol
SMILESCc1cn(CC(O)COc2ccc(F)cc2)nn1
InChIInChI=1S/C12H14FN3O2/c1-9-6-16(15-14-9)7-11(17)8-18-12-4-2-10(13)3-5-12/h2-6,11,17H,7-8H2,1H3
InChIKeyWMOHCGUAELAIDL-UHFFFAOYSA-N
XLogP1.17
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[4-[2-[4-[(2R)-3-chloro-2-hydroxypropoxy]-3-fluorophenyl]propan-2-yl]phenoxy]-3-(4-methyltriazol-1-yl)propan-2-ol
CID 155200648
1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol
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1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411608
1,3-bis(4-fluorophenoxy)propan-2-ol
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1-(4-fluorophenoxy)-4-methylpentan-2-ol
CID 117241745
1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 109411962
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94797788
(2S)-1-(4-fluorophenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol
CID 806370
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 34363876
1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 42947275
3-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 769267

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol (CID 138020565) is 1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol is Cc1cn(CC(O)COc2ccc(F)cc2)nn1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol?
The InChIKey is WMOHCGUAELAIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-9-6-16(15-14-9)7-11(17)8-18-12-4-2-10(13)3-5-12/h2-6,11,17H,7-8H2,1H3.
What are the key properties of 1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol?
1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol has a molecular weight of 251.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol is sourced from PubChem (CID 138020565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).