1H-Indol-4-ol, 5-butyl-7-methoxy-1-methyl-, 4-acetate
Basic information
- CAS
99107-54-7- Standard SMILES
CCCCc1cc(OC)c2c(ccn2C)c1OC(C)=O- InChIKey
JIUVITDMSXZWRL-UHFFFAOYSA-N- Molecular formula
- C16H21NO3
- Average molar mass
- 275.34 g/mol
- Monoisotopic mass
- 275.15214353
Names & identifiers
- Preferred name
- 1H-Indol-4-ol, 5-butyl-7-methoxy-1-methyl-, 4-acetate
- IUPAC
- (5-butyl-7-methoxy-1-methylindol-4-yl) acetate
Names & synonyms
99107-54-71H-Indol-4-ol, 5-butyl-7-methoxy-1-methyl-, 4-acetateDTXSID90243949RefChem:238647DTXCID701664405-butyl-7-methoxy-1-methyl-1h-indol-4-yl acetateCHEMBL165368
Database identifiers
- CAS
99107-54-7- PubChem CID
- 188487
- DTXSID
DTXSID90243949- ChEMBL
CHEMBL165368- Nikkaji
- J273.612H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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