Basic information
- CAS
50332-25-7- Standard SMILES
Cc1ccc(C(=O)n2c3c(c4cc5c(cc42)OCO5)CCCC3)cc1- InChIKey
HKSVBELEORUCHK-UHFFFAOYSA-N- Molecular formula
- C21H19NO3
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.13649347
Names & identifiers
- Preferred name
- 5H-1,3-Dioxolo(4,5-b)carbazole, 6,7,8,9-tetrahydro-5-(p-toluoyl)-
- IUPAC
- (4-methylphenyl)-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-b]carbazol-9-yl)methanone
- English name
- 6,7,8,9-Tetrahydro-5-(p-toluoyl)-5H-1,3-dioxolo[4,5-b]carbazole
- Molecular formula
- C21H19NO3
- Molecular weight
- 333.38
Names & synonyms
50332-25-7BRN 10327435H-1,3-DIOXOLO(4,5-b)CARBAZOLE, 6,7,8,9-TETRAHYDRO-5-(p-TOLUOYL)-DTXSID001983705-(p-Toluoyl)-6,7,8,9-tetrahydro-5H-1,3-dioxolo(4,5-b)carbazole5H-1,3-Dioxolo(4,5-b)carbazole, 6,7,8,9-tetrahydro-5-(4-methylbenzoyl)-RefChem:305233DTXCID301208616,7,8,9-Tetrahydro-5-(p-toluoyl)-5H-1,3-dioxolo[4,5-b]carbazoleDB-263732(4-Methylphenyl)(6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-b]carbazol-5-yl)methanoneMethanone, (4-methylphenyl)(6,7,8,9-tetrahydro-5H-1,3-dioxolo[4,5-b]carbazol-5-yl)-
Database identifiers
- CAS
50332-25-7- PubChem CID
- 39627
- DTXSID
DTXSID00198370- Nikkaji
- J83.726A
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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