HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

5-Phenoxy-1,2,3,4-tetrahydroquinoline

HCID 487547
New noteNew reactionRequest quotes
Print preview

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
c1ccc(Oc2cccc3c2CCCN3)cc1
InChIKey
NHKMZUGBCUFWQJ-UHFFFAOYSA-N
Molecular formula
C15H15NO
Average molar mass
225.28 g/mol

Names & identifiers

Preferred name
5-Phenoxy-1,2,3,4-tetrahydroquinoline
IUPAC
5-phenoxy-1,2,3,4-tetrahydroquinoline

Names & synonyms

5-phenoxy-1,2,3,4-tetrahydroquinolineSCHEMBL1735335NHKMZUGBCUFWQJ-UHFFFAOYSA-N5-Phenoxy-1,2,3,4-tetrahydro-quinolineQuinoline, 1,2,3,4-tetrahydro-5-phenoxy-

Database identifiers

PubChem CID
487547

Properties

Computed structural propertiesFilling in

XLogP
3.8
Topological polar surface area
21.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
237

Related reactions

4 records
New reaction record
HRID 91081 reaction equation
HRID 91081As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 949754 reaction equation
HRID 949754As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1172998 reaction equation
HRID 1172998As productuspto-grants-2010_11
HRID 1172999 reaction equation
HRID 1172999As reactantuspto-grants-2010_11

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes