HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

1-(4-Fluorophenyl)-2-(1-methyl-1H-tetrazol-5-yl)-1-phenylethanol

HCID 14724022
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1nnnc1CC(O)(c1ccccc1)c1ccc(F)cc1
InChIKey
KEZWTQBEAYDDOW-UHFFFAOYSA-N
Molecular formula
C16H15FN4O
Average molar mass
298.31 g/mol

Names & identifiers

Preferred name
1-(4-Fluorophenyl)-2-(1-methyl-1H-tetrazol-5-yl)-1-phenylethanol
IUPAC
1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)-1-phenylethanol

Names & synonyms

SCHEMBL9726731KEZWTQBEAYDDOW-UHFFFAOYSA-N1-(4-Fluorophenyl)-2-(1-methyl-1H-tetrazol-5-yl)-1-phenylethanol

Database identifiers

PubChem CID
14724022

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
63.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Formal charge
0
Complexity
358

Related reactions

6 records
New reaction record
HRID 113172 reaction equation
HRID 113172As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 330689 reaction equation
HRID 330689As productuspto-grants-1990_01
HRID 974501 reaction equation
HRID 974501As productuspto-grants-1991_11
HRID 1195388 reaction equation
HRID 1195388As productuspto-grants-1992_05
HRID 1199222 reaction equation
HRID 1199222As productuspto-grants-1990_02
HRID 2165325 reaction equation
HRID 2165325As productuspto-grants-1990_07

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes