1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol

C12H14FN3O2 — CID 107043841

IUPAC1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccc(F)cc1OCc1cn(C)nn1
InChIInChI=1S/C12H14FN3O2/c1-8(17)11-4-3-9(13)5-12(11)18-7-10-6-16(2)15-14-10/h3-6,8,17H,7H2,1-2H3
InChIKeyXHAHJVRLSYQQSP-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.59
Rot. Bonds4

About 1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol

1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol (PubChem CID 107043841) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
PubChem CID107043841
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccc(F)cc1OCc1cn(C)nn1
InChIInChI=1S/C12H14FN3O2/c1-8(17)11-4-3-9(13)5-12(11)18-7-10-6-16(2)15-14-10/h3-6,8,17H,7H2,1-2H3
InChIKeyXHAHJVRLSYQQSP-UHFFFAOYSA-N
XLogP1.59
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[4-bromo-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043932
4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole
CID 102975429
(1S)-1-[5-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043853
3-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]prop-2-yn-1-ol
CID 107051631
(1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 55188831
(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-fluorophenyl]ethanol
CID 78932436
4-[(5-fluoro-2-nitrophenoxy)methyl]-1-methyltriazole
CID 103866197
(1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043902
1-[4-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanol
CID 63069251
5-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78932245
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol
CID 78932255

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol (CID 107043841) is 1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol is CC(O)c1ccc(F)cc1OCc1cn(C)nn1.
What is the InChIKey of 1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol?
The InChIKey is XHAHJVRLSYQQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-8(17)11-4-3-9(13)5-12(11)18-7-10-6-16(2)15-14-10/h3-6,8,17H,7H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol?
1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol has a molecular weight of 251.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107043841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).