4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol

C17H14F3N3O3 — CID 142920136

IUPAC4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol
SMILESCOc1ccc(-n2nc(OCC(F)(F)F)nc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H14F3N3O3/c1-25-14-8-4-12(5-9-14)23-15(11-2-6-13(24)7-3-11)21-16(22-23)26-10-17(18,19)20/h2-9,24H,10H2,1H3
InChIKeyZMCFMMSDJMHRGX-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.59
Rot. Bonds5

About 4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol

4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol (PubChem CID 142920136) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol
PubChem CID142920136
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol
SMILESCOc1ccc(-n2nc(OCC(F)(F)F)nc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H14F3N3O3/c1-25-14-8-4-12(5-9-14)23-15(11-2-6-13(24)7-3-11)21-16(22-23)26-10-17(18,19)20/h2-9,24H,10H2,1H3
InChIKeyZMCFMMSDJMHRGX-UHFFFAOYSA-N
XLogP3.59
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol
CID 142920182
4-[5-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10251963
3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
CID 10268196
4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
CID 21090959
1-(4-methoxyphenyl)-3-(2-methylpropoxy)-5-(4-phenylmethoxyphenyl)-1,2,4-triazole
CID 91538162
1-(4-methoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 10200022
2-[4-[5-(2-ethoxyethoxy)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenoxy]ethanamine
CID 142920114
2-[4-[5-methoxy-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenoxy]ethylurea
CID 10022837
1-(3-methoxyphenyl)-3-[4-[3-(2-methylpropoxy)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]urea
CID 42777459
4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10316466
N-[3-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 42810019
[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 4288152

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol (CID 142920136) is 4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol is COc1ccc(-n2nc(OCC(F)(F)F)nc2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol?
The InChIKey is ZMCFMMSDJMHRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-25-14-8-4-12(5-9-14)23-15(11-2-6-13(24)7-3-11)21-16(22-23)26-10-17(18,19)20/h2-9,24H,10H2,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol?
4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol has a molecular weight of 365.31 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 142920136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).