1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol

C12H14FN3O2 — CID 114685435

IUPAC1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol
SMILESCOc1cccc(F)c1C(C)(O)c1cnnn1C
InChIInChI=1S/C12H14FN3O2/c1-12(17,10-7-14-15-16(10)2)11-8(13)5-4-6-9(11)18-3/h4-7,17H,1-3H3
InChIKeyYVQZUYMOMCXMIR-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.22
Rot. Bonds3

About 1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol

1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol (PubChem CID 114685435) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol
PubChem CID114685435
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol
SMILESCOc1cccc(F)c1C(C)(O)c1cnnn1C
InChIInChI=1S/C12H14FN3O2/c1-12(17,10-7-14-15-16(10)2)11-8(13)5-4-6-9(11)18-3/h4-7,17H,1-3H3
InChIKeyYVQZUYMOMCXMIR-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638169
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638175
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638172
1-(2-fluoro-6-methoxyphenyl)-1-(5-methylthiophen-3-yl)ethanol
CID 113389290
4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113389409
1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol
CID 116542850
3-(2-fluoro-6-methoxyphenyl)-3-methylbutanoic acid
CID 117325215
1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116809791
3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol
CID 113389301
N-[(2-fluoro-6-methoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114688697
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125403

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol (CID 114685435) is 1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol is COc1cccc(F)c1C(C)(O)c1cnnn1C.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol?
The InChIKey is YVQZUYMOMCXMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-12(17,10-7-14-15-16(10)2)11-8(13)5-4-6-9(11)18-3/h4-7,17H,1-3H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol?
1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol has a molecular weight of 251.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 114685435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).