4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenol

C15H11ClFN3O — CID 135710761

IUPAC4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenol
SMILESCn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(O)cc1
InChIInChI=1S/C15H11ClFN3O/c1-20-15(9-5-7-10(21)8-6-9)18-14(19-20)13-11(16)3-2-4-12(13)17/h2-8,21H,1H3
InChIKeySKYFRPOAAUAIOF-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.65
Rot. Bonds2

About 4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenol

4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenol (PubChem CID 135710761) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenol
PubChem CID135710761
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenol
SMILESCn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(O)cc1
InChIInChI=1S/C15H11ClFN3O/c1-20-15(9-5-7-10(21)8-6-9)18-14(19-20)13-11(16)3-2-4-12(13)17/h2-8,21H,1H3
InChIKeySKYFRPOAAUAIOF-UHFFFAOYSA-N
XLogP3.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol
CID 130429150
4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)phenol
CID 135612240
4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)-2-fluorophenol
CID 135492551
3-[5-(3-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 25093383
3-[5-(4-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899473
4-[5-(3-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899474
4-[5-(4-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899490
4-[4-Chloro-5-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol
CID 135724451
4-(1-methyl-1H-1,2,4-triazol-3-yl)phenol
CID 136270902
4-(1-methyl-1H-1,2,4-triazol-5-yl)phenol
CID 136316379
5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-(4-methoxybenzyl)-1H-1,2,4-triazole
CID 74246924
4-[5-[5-(2-Chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-2,4-dimethylthiophen-3-yl]phenol
CID 76308250

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenol (CID 135710761) is 4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenol is Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenol?
The InChIKey is SKYFRPOAAUAIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c1-20-15(9-5-7-10(21)8-6-9)18-14(19-20)13-11(16)3-2-4-12(13)17/h2-8,21H,1H3.
What are the key properties of 4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenol?
4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenol has a molecular weight of 303.72 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135710761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).