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

4-[6-(2,3-Dihydroxyphenyl)hexyloxy]-alpha-oxobenzeneacetic acid

HCID 19004543
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C(=O)c1ccc(OCCCCCCc2cccc(O)c2O)cc1
InChIKey
YDJXIVGYEXTRJG-UHFFFAOYSA-N
Molecular formula
C20H22O6
Average molar mass
358.4 g/mol

Names & identifiers

Preferred name
4-[6-(2,3-Dihydroxyphenyl)hexyloxy]-alpha-oxobenzeneacetic acid
IUPAC
2-[4-[6-(2,3-dihydroxyphenyl)hexoxy]phenyl]-2-oxoacetic acid

Names & synonyms

SCHEMBL9041678YDJXIVGYEXTRJG-UHFFFAOYSA-N4-[6-(2,3-dihydroxyphenyl)hexyloxy]-alpha-oxobenzeneacetic acid

Database identifiers

PubChem CID
19004543

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
104 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
26
Formal charge
0
Complexity
444

Related reactions

1 records
New reaction record
HRID 2225823 reaction equation
HRID 2225823As productuspto-grants-1994_09

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes