[2-[4-(3-fluorophenyl)triazol-1-yl]phenyl]methanol

C15H12FN3O — CID 175178237

IUPAC[2-[4-(3-fluorophenyl)triazol-1-yl]phenyl]methanol
SMILESOCc1ccccc1-n1cc(-c2cccc(F)c2)nn1
InChIInChI=1S/C15H12FN3O/c16-13-6-3-5-11(8-13)14-9-19(18-17-14)15-7-2-1-4-12(15)10-20/h1-9,20H,10H2
InChIKeyKAUIVHDTOLEAOL-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.57
Rot. Bonds3

About [2-[4-(3-fluorophenyl)triazol-1-yl]phenyl]methanol

[2-[4-(3-fluorophenyl)triazol-1-yl]phenyl]methanol (PubChem CID 175178237) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is [2-[4-(3-fluorophenyl)triazol-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[4-(3-fluorophenyl)triazol-1-yl]phenyl]methanol
PubChem CID175178237
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name[2-[4-(3-fluorophenyl)triazol-1-yl]phenyl]methanol
SMILESOCc1ccccc1-n1cc(-c2cccc(F)c2)nn1
InChIInChI=1S/C15H12FN3O/c16-13-6-3-5-11(8-13)14-9-19(18-17-14)15-7-2-1-4-12(15)10-20/h1-9,20H,10H2
InChIKeyKAUIVHDTOLEAOL-UHFFFAOYSA-N
XLogP2.57
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-fluorophenyl)triazol-1-yl]phenyl]methanol?
The IUPAC name of [2-[4-(3-fluorophenyl)triazol-1-yl]phenyl]methanol (CID 175178237) is [2-[4-(3-fluorophenyl)triazol-1-yl]phenyl]methanol.
What is the SMILES notation for [2-[4-(3-fluorophenyl)triazol-1-yl]phenyl]methanol?
The canonical SMILES for [2-[4-(3-fluorophenyl)triazol-1-yl]phenyl]methanol is OCc1ccccc1-n1cc(-c2cccc(F)c2)nn1.
What is the InChIKey of [2-[4-(3-fluorophenyl)triazol-1-yl]phenyl]methanol?
The InChIKey is KAUIVHDTOLEAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-13-6-3-5-11(8-13)14-9-19(18-17-14)15-7-2-1-4-12(15)10-20/h1-9,20H,10H2.
What are the key properties of [2-[4-(3-fluorophenyl)triazol-1-yl]phenyl]methanol?
[2-[4-(3-fluorophenyl)triazol-1-yl]phenyl]methanol has a molecular weight of 269.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-fluorophenyl)triazol-1-yl]phenyl]methanol is sourced from PubChem (CID 175178237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).