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

C17H14FN3O — CID 5306711

IUPAC2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,2,4-triazol-3-yl]phenol
SMILESCn1nc(/C=C/c2ccc(F)cc2)nc1-c1ccccc1O
InChIInChI=1S/C17H14FN3O/c1-21-17(14-4-2-3-5-15(14)22)19-16(20-21)11-8-12-6-9-13(18)10-7-12/h2-11,22H,1H3/b11-8+
InChIKeyFOKMIKRZJOHGMP-DHZHZOJOSA-N
MW295.32 g/mol
LogP3.50
Rot. Bonds3

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

2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,2,4-triazol-3-yl]phenol (PubChem CID 5306711) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,2,4-triazol-3-yl]phenol
PubChem CID5306711
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,2,4-triazol-3-yl]phenol
SMILESCn1nc(/C=C/c2ccc(F)cc2)nc1-c1ccccc1O
InChIInChI=1S/C17H14FN3O/c1-21-17(14-4-2-3-5-15(14)22)19-16(20-21)11-8-12-6-9-13(18)10-7-12/h2-11,22H,1H3/b11-8+
InChIKeyFOKMIKRZJOHGMP-DHZHZOJOSA-N
XLogP3.50
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,2,4-triazol-3-yl]phenol (CID 5306711) is 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,2,4-triazol-3-yl]phenol is Cn1nc(/C=C/c2ccc(F)cc2)nc1-c1ccccc1O.
What is the InChIKey of 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,2,4-triazol-3-yl]phenol?
The InChIKey is FOKMIKRZJOHGMP-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-21-17(14-4-2-3-5-15(14)22)19-16(20-21)11-8-12-6-9-13(18)10-7-12/h2-11,22H,1H3/b11-8+.
What are the key properties of 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,2,4-triazol-3-yl]phenol?
2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,2,4-triazol-3-yl]phenol has a molecular weight of 295.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 5306711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).