[5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol

C17H16FN3O — CID 82206224

IUPAC[5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol
SMILESCC(c1ccccc1)n1nnc(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O/c1-12(13-5-3-2-4-6-13)21-17(16(11-22)19-20-21)14-7-9-15(18)10-8-14/h2-10,12,22H,11H2,1H3
InChIKeyXFAVQFPBUSYMHD-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.19
Rot. Bonds4

About [5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol

[5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol (PubChem CID 82206224) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol
PubChem CID82206224
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name[5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol
SMILESCC(c1ccccc1)n1nnc(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O/c1-12(13-5-3-2-4-6-13)21-17(16(11-22)19-20-21)14-7-9-15(18)10-8-14/h2-10,12,22H,11H2,1H3
InChIKeyXFAVQFPBUSYMHD-UHFFFAOYSA-N
XLogP3.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol
CID 82206167
[1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82206282
3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol
CID 82206301
[5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol
CID 82206876
[5-(4-fluorophenyl)-1-heptyltriazol-4-yl]methanol
CID 82208048
[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol
CID 94943302
[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 94943324
2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine
CID 82206303
[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
CID 82203213
5-(4-fluorophenyl)-1-pentan-3-yltriazole-4-carboxylic acid
CID 102644341
[5-(4-bromophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
CID 94944799
1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole
CID 23649624

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol?
The IUPAC name of [5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol (CID 82206224) is [5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol?
The canonical SMILES for [5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol is CC(c1ccccc1)n1nnc(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol?
The InChIKey is XFAVQFPBUSYMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-12(13-5-3-2-4-6-13)21-17(16(11-22)19-20-21)14-7-9-15(18)10-8-14/h2-10,12,22H,11H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol?
[5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol has a molecular weight of 297.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82206224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).