2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol

C12H14FN3O2 — CID 62402234

IUPAC2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol
SMILESCOc1ccc(Cn2cc(CCO)nn2)cc1F
InChIInChI=1S/C12H14FN3O2/c1-18-12-3-2-9(6-11(12)13)7-16-8-10(4-5-17)14-15-16/h2-3,6,8,17H,4-5,7H2,1H3
InChIKeyRUNJOQSATXFEOM-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.01
Rot. Bonds5

About 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol

2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol (PubChem CID 62402234) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol
PubChem CID62402234
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol
SMILESCOc1ccc(Cn2cc(CCO)nn2)cc1F
InChIInChI=1S/C12H14FN3O2/c1-18-12-3-2-9(6-11(12)13)7-16-8-10(4-5-17)14-15-16/h2-3,6,8,17H,4-5,7H2,1H3
InChIKeyRUNJOQSATXFEOM-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3-bromo-4-methoxyphenyl)methyl]triazol-4-yl]ethanol
CID 62401870
1-[2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethyl]piperazine
CID 167798270
2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol
CID 62400404
4-(2-bromoethyl)-1-[(3,4-difluorophenyl)methyl]triazole
CID 82930440
1-[1-[(3-bromo-4-methoxyphenyl)methyl]triazol-4-yl]-N-methylmethanamine
CID 66193483
1-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-triazole-3-carbothioamide
CID 62950536
1-benzyl-4-[2-(5-chloro-2-methoxyphenyl)ethyl]triazole
CID 112718716
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
1-benzyl-4-[2-(3,4-difluorophenyl)ethyl]triazole
CID 112719016
2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol
CID 55066656
2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol
CID 94681852
1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxylic acid
CID 53193037

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol (CID 62402234) is 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol is COc1ccc(Cn2cc(CCO)nn2)cc1F.
What is the InChIKey of 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol?
The InChIKey is RUNJOQSATXFEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-18-12-3-2-9(6-11(12)13)7-16-8-10(4-5-17)14-15-16/h2-3,6,8,17H,4-5,7H2,1H3.
What are the key properties of 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol?
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol has a molecular weight of 251.26 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 62402234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).