(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol

C15H12FN3O — CID 114684808

IUPAC(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1cccc(F)c1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H12FN3O/c16-12-6-4-5-11(9-12)15(20)14-10-17-18-19(14)13-7-2-1-3-8-13/h1-10,15,20H
InChIKeyASIWGGALGBFSJI-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.49
Rot. Bonds3

About (3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol

(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol (PubChem CID 114684808) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is (3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
PubChem CID114684808
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1cccc(F)c1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H12FN3O/c16-12-6-4-5-11(9-12)15(20)14-10-17-18-19(14)13-7-2-1-3-8-13/h1-10,15,20H
InChIKeyASIWGGALGBFSJI-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684827
(3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114685520
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684694
(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105128605
(3-chloro-4-iodophenyl)-(3-phenyltriazol-4-yl)methanol
CID 103217123
(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684777
(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088951
2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686314
1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine
CID 117167242
5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole
CID 174935366
(5-bromo-2-methylphenyl)-(3-phenyltriazol-4-yl)methanol
CID 115835877
(3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol
CID 114685473

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol?
The IUPAC name of (3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol (CID 114684808) is (3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol?
The canonical SMILES for (3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol is OC(c1cccc(F)c1)c1cnnn1-c1ccccc1.
What is the InChIKey of (3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol?
The InChIKey is ASIWGGALGBFSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-6-4-5-11(9-12)15(20)14-10-17-18-19(14)13-7-2-1-3-8-13/h1-10,15,20H.
What are the key properties of (3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol?
(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol has a molecular weight of 269.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 114684808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).