5,6-Bis(benzyloxy)-1h-indole-2-carboxylic acid
Basic information
- CAS
4966-40-9- Standard SMILES
O=C(O)c1cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2[nH]1- InChIKey
TYUJHLDUESKKPZ-UHFFFAOYSA-N- Molecular formula
- C23H19NO4
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.13140809
Names & identifiers
- Preferred name
- 5,6-Bis(benzyloxy)-1h-indole-2-carboxylic acid
- IUPAC
- 5,6-bis(phenylmethoxy)-1H-indole-2-carboxylic acid
Names & synonyms
5,6-bis(benzyloxy)-1h-indole-2-carboxylic acid4966-40-9NSC925315,6-bis(phenylmethoxy)-1H-indole-2-carboxylic acidSCHEMBL7174812DTXSID00964330NSC-92531DS-005616
Database identifiers
- CAS
4966-40-9- PubChem CID
- 260802
- DTXSID
DTXSID00964330
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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