2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol

C19H20FN3O3 — CID 131908454

IUPAC2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol
SMILESCOc1ccccc1Cc1nc(-c2cccc(OC)c2F)n(CCO)n1
InChIInChI=1S/C19H20FN3O3/c1-25-15-8-4-3-6-13(15)12-17-21-19(23(22-17)10-11-24)14-7-5-9-16(26-2)18(14)20/h3-9,24H,10-12H2,1-2H3
InChIKeyNYEWATHKGAQEGM-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.68
Rot. Bonds7

About 2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol

2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 131908454) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID131908454
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol
SMILESCOc1ccccc1Cc1nc(-c2cccc(OC)c2F)n(CCO)n1
InChIInChI=1S/C19H20FN3O3/c1-25-15-8-4-3-6-13(15)12-17-21-19(23(22-17)10-11-24)14-7-5-9-16(26-2)18(14)20/h3-9,24H,10-12H2,1-2H3
InChIKeyNYEWATHKGAQEGM-UHFFFAOYSA-N
XLogP2.68
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol (CID 131908454) is 2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol is COc1ccccc1Cc1nc(-c2cccc(OC)c2F)n(CCO)n1.
What is the InChIKey of 2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is NYEWATHKGAQEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-25-15-8-4-3-6-13(15)12-17-21-19(23(22-17)10-11-24)14-7-5-9-16(26-2)18(14)20/h3-9,24H,10-12H2,1-2H3.
What are the key properties of 2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol?
2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 357.39 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 131908454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).