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

5-(2-Formyl-3-methoxyphenoxy)pentanoic acid

HCID 20484339
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cccc(OCCCCC(=O)O)c1C=O
InChIKey
AWAKAUXZBGPOOG-UHFFFAOYSA-N
Molecular formula
C13H16O5
Average molar mass
252.26 g/mol
Monoisotopic mass
252.09977361

Names & identifiers

Preferred name
5-(2-Formyl-3-methoxyphenoxy)pentanoic acid
IUPAC
5-(2-formyl-3-methoxyphenoxy)pentanoic acid

Names & synonyms

SCHEMBL11149422AWAKAUXZBGPOOG-UHFFFAOYSA-N5-(2-formyl-3-methoxyphenoxy)pentanoic acid

Database identifiers

PubChem CID
20484339

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
72.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
18
Formal charge
0
Complexity
266

Related reactions

5 records
New reaction record
HRID 647894 reaction equation
HRID 647894As productuspto-grants-1983_10
HRID 647895 reaction equation
HRID 647895As reactantuspto-grants-1983_10
HRID 647896 reaction equation
HRID 647896As reactantuspto-grants-1983_10
HRID 1153079 reaction equation
HRID 1153079As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2323500 reaction equation
HRID 2323500As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes