Basic information
- CAS
51145-59-6- Standard SMILES
COc1ccc2[nH]c3c(c2c1)CC(OC(=O)c1ccccc1)CC3- InChIKey
NSYWVCYQHCWGAY-UHFFFAOYSA-N- Molecular formula
- C20H19NO3
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.13649347
Names & identifiers
- Preferred name
- 6-Methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl benzoate
- IUPAC
- (6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate
Names & synonyms
SCHEMBL7410108DTXSID3011899676-Methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl benzoate1H-Carbazol-3-ol, 2,3,4,9-tetrahydro-6-methoxy-, 3-benzoate51145-59-6
Database identifiers
- CAS
51145-59-6- PubChem CID
- 12891775
- DTXSID
DTXSID301189967
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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