6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin
Grundinformationen
- Standard-SMILES
Cc1c(C)c2c(c(C)c1O)C(C)(C)CC(=O)O2- InChIKey
NWBXBARTRIEVKH-UHFFFAOYSA-N- Summenformel
- C14H18O3
- Durchschnittliche Molmasse
- 234,29 g/mol
- Monoisotopische Masse
- 234,12559443
Namen und Bezeichner
- Bevorzugter Name
- 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin
- IUPAC
- 6-hydroxy-4,4,5,7,8-pentamethyl-3H-chromen-2-one
Namen und Synonyme
40662-76-86-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin6-hydroxy-4,4,5,7,8-pentamethylchroman-2-one6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-2-one6-hydroxy-4,4,5,7,8-pentamethyl-3H-chromen-2-oneMFCD26394817Dihydrocoumarin-6-ol, 4,4,5,7,8-pentamethyl-SCHEMBL1106622CHEMBL4590451WS-01013DB-296540D85481
Weitere Namen anzeigen
6-hydroxy-4,4,5,7,8-pentamethyl-chroman-2-oneF8414906-Hydroxy-4,4,5,7,8-pentamethyl-2-chromanone #6-hyroxy-4,4,5,7,8-pentamathyl-3,4-dihydrocoumarin6-hydroxhy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin6-hydroxy-4,4,5,7,8-pentamethylo-3,4-dihydrocoumarinCoumarin-6-ol, 3,4-dihydro-4,4,5,7,8-pentamethyl-Coumarin-6-ol, 3,4-dihydro-4,4-dimethyl-5,7,8-trimethyl-
Datenbank-Bezeichner
- PubChem CID
- 616349
- ChEMBL
CHEMBL4590451- Nikkaji
- J1.527.283J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 323
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…