(2-fluorophenyl)-(2-phenyltriazol-4-yl)methanol

C15H12FN3O — CID 105083941

IUPAC(2-fluorophenyl)-(2-phenyltriazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)n1)c1ccccc1F
InChIInChI=1S/C15H12FN3O/c16-13-9-5-4-8-12(13)15(20)14-10-17-19(18-14)11-6-2-1-3-7-11/h1-10,15,20H
InChIKeyMXFSVUPPUCDNDU-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.49
Rot. Bonds3

About (2-fluorophenyl)-(2-phenyltriazol-4-yl)methanol

(2-fluorophenyl)-(2-phenyltriazol-4-yl)methanol (PubChem CID 105083941) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is (2-fluorophenyl)-(2-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2-fluorophenyl)-(2-phenyltriazol-4-yl)methanol
PubChem CID105083941
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name(2-fluorophenyl)-(2-phenyltriazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)n1)c1ccccc1F
InChIInChI=1S/C15H12FN3O/c16-13-9-5-4-8-12(13)15(20)14-10-17-19(18-14)11-6-2-1-3-7-11/h1-10,15,20H
InChIKeyMXFSVUPPUCDNDU-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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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(2-phenyltriazol-4-yl)methanol?
The IUPAC name of (2-fluorophenyl)-(2-phenyltriazol-4-yl)methanol (CID 105083941) is (2-fluorophenyl)-(2-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (2-fluorophenyl)-(2-phenyltriazol-4-yl)methanol?
The canonical SMILES for (2-fluorophenyl)-(2-phenyltriazol-4-yl)methanol is OC(c1cnn(-c2ccccc2)n1)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-(2-phenyltriazol-4-yl)methanol?
The InChIKey is MXFSVUPPUCDNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-13-9-5-4-8-12(13)15(20)14-10-17-19(18-14)11-6-2-1-3-7-11/h1-10,15,20H.
What are the key properties of (2-fluorophenyl)-(2-phenyltriazol-4-yl)methanol?
(2-fluorophenyl)-(2-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 (2-fluorophenyl)-(2-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 105083941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).