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

Allyl (3-ethylphenyl) ether

HCID 637367
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
58621-53-7
Standard SMILES
C=CCOc1cccc(CC)c1
InChIKey
NOSJDVAQDDGLKZ-UHFFFAOYSA-N
Molecular formula
C11H14O
Average molar mass
162.23 g/mol
Monoisotopic mass
162.10446507

Names & identifiers

Preferred name
Allyl (3-ethylphenyl) ether
IUPAC
1-ethyl-3-prop-2-enoxybenzene

Names & synonyms

1-(allyloxy)-3-ethylbenzene58621-53-71-Ethyl-3-(2-propen-1-yloxy)benzeneallyl (3-ethylphenyl) ether1-ethyl-3-(prop-2-en-1-yloxy)benzeneallyl m-ethylphenyl etherSCHEMBL20482022DTXSID601294030(3-ethylphenyl) (2-propenyl) etherAKOS008950082benzene, 1-ethyl-3-(2-propenyloxy)-1-Ethyl-3-[(prop-2-en-1-yl)oxy]benzene
Show more names
A1-71415InChI=1/C11H14O/c1-3-8-12-11-7-5-6-10(4-2)9-11/h3,5-7,9H,1,4,8H2,2H

Database identifiers

CAS
58621-53-7
PubChem CID
637367
DTXSID
DTXSID601294030
Nikkaji
J1.632.115J

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
12
Formal charge
0
Complexity
131

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes