Basic information
- Standard SMILES
COc1ccc2c(c1)c(C=O)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
JIBCAXYVBPCERY-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.066221
Names & identifiers
- Preferred name
- 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-carboxaldehyde
- IUPAC
- 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-carbaldehyde
Names & synonyms
23694-51-11-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-carboxaldehydeDTXSID70447448RefChem:224970DTXCID70398269SCHEMBL2211250JIBCAXYVBPCERY-UHFFFAOYSA-N1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-carbaldehyde[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]-carbaldehyde1-(4-chlorobenzoyl) -5-methoxy-2-methyl-lH-indole-3-carboxaldehyde1-(4-chlorobenzoyl)-5-methoxy-2-methyl-lH-indole-3-carboxaldehyde
Database identifiers
- CAS
23694-51-1- PubChem CID
- 10892787
- DTXSID
DTXSID70447448- Nikkaji
- J763.468D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Related reactions
7 records
Linked notes
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