(2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol

C11H12FN3O2 — CID 112735964

IUPAC(2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol
SMILESCOc1cccc(C(O)c2cn(C)nn2)c1F
InChIInChI=1S/C11H12FN3O2/c1-15-6-8(13-14-15)11(16)7-4-3-5-9(17-2)10(7)12/h3-6,11,16H,1-2H3
InChIKeySTAKYQSFSIWKRE-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.04
Rot. Bonds3

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

(2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol (PubChem CID 112735964) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol
PubChem CID112735964
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name(2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol
SMILESCOc1cccc(C(O)c2cn(C)nn2)c1F
InChIInChI=1S/C11H12FN3O2/c1-15-6-8(13-14-15)11(16)7-4-3-5-9(17-2)10(7)12/h3-6,11,16H,1-2H3
InChIKeySTAKYQSFSIWKRE-UHFFFAOYSA-N
XLogP1.04
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol
CID 114282584
(2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 114554105
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105121006
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744
(2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105120967
1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054
(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82792485
[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 82805394

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol (CID 112735964) is (2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol is COc1cccc(C(O)c2cn(C)nn2)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol?
The InChIKey is STAKYQSFSIWKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-15-6-8(13-14-15)11(16)7-4-3-5-9(17-2)10(7)12/h3-6,11,16H,1-2H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol?
(2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol has a molecular weight of 237.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol is sourced from PubChem (CID 112735964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).