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

Ethyl 7-allyloxynaphthalene-2-carboxylate

HCID 20282953
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCOc1ccc2ccc(C(=O)OCC)cc2c1
InChIKey
TXYBQGWZLCXAKD-UHFFFAOYSA-N
Molecular formula
C16H16O3
Average molar mass
256.3 g/mol

Names & identifiers

Preferred name
Ethyl 7-allyloxynaphthalene-2-carboxylate
IUPAC
ethyl 7-prop-2-enoxynaphthalene-2-carboxylate

Names & synonyms

SCHEMBL10958710TXYBQGWZLCXAKD-UHFFFAOYSA-Nethyl 7-allyloxynaphthalene-2-carboxylate

Database identifiers

PubChem CID
20282953

Properties

Computed structural properties

XLogP
4
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
19
Formal charge
0
Complexity
313

Related reactions

5 records
New reaction record
HRID 463328 reaction equation
HRID 463328As productuspto-grants-1985_05
HRID 463329 reaction equation
HRID 463329As reactantuspto-grants-1985_05
HRID 956007 reaction equation
HRID 956007As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 2295414 reaction equation
HRID 2295414As productuspto-grants-1984_01
HRID 2295415 reaction equation
HRID 2295415As reactantuspto-grants-1984_01

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes