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-[2-(1-Hexyn-1-yl)phenyl]-2-[4-(methyloxy)phenyl]ethanone

HCID 68536148
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCC#Cc1ccccc1C(=O)Cc1ccc(OC)cc1
InChIKey
FURJBYOFLNOBRR-UHFFFAOYSA-N
Molecular formula
C21H22O2
Average molar mass
306.4 g/mol

Names & identifiers

Preferred name
1-[2-(1-Hexyn-1-yl)phenyl]-2-[4-(methyloxy)phenyl]ethanone
IUPAC
1-(2-hex-1-ynylphenyl)-2-(4-methoxyphenyl)ethanone

Names & synonyms

SCHEMBL3168152FURJBYOFLNOBRR-UHFFFAOYSA-N1-[2-(1-Hexyn-1-yl)phenyl]-2-[4-(methyloxy)phenyl]ethanone

Database identifiers

PubChem CID
68536148

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
23
Formal charge
0
Complexity
420

Related reactions

3 records
New reaction record
HRID 824377 reaction equation
HRID 824377As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1992930 reaction equation
HRID 1992930As productuspto-grants-2010_01
HRID 1992931 reaction equation
HRID 1992931As reactantuspto-grants-2010_01

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes