Ketone, methoxymethyl 3-methyl-2-indolyl-
Basic information
- CAS
52098-18-7- Standard SMILES
COCC(=O)c1[nH]c2ccccc2c1C- InChIKey
SQAVRXHTSRPTBG-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- Ketone, methoxymethyl 3-methyl-2-indolyl-
- IUPAC
- 2-methoxy-1-(3-methyl-1H-indol-2-yl)ethanone
Names & synonyms
KETONE, METHOXYMETHYL 3-METHYL-2-INDOLYL-2-methoxy-1-(3-methyl-1H-indol-2-yl)ethanone52098-18-7BRN 14591952-(Methoxyacetyl)-3-methylindoleMethoxymethyl 3-methyl-2-indolyl ketoneChemDiv2_000369Oprea1_689824MLS0000798042-methoxy-1-(3-methyl-1H-indol-2-yl)ethan-1-oneCHEMBL1342655DTXSID60200089
Show more names
HMS1370A17HMS2319C07STK530152AKOS005463241CCG-105931SMR000034170SR-01000108453SR-01000108453-1
Database identifiers
- CAS
52098-18-7- PubChem CID
- 40230
- DTXSID
DTXSID60200089- ChEMBL
CHEMBL1342655- Nikkaji
- J62.522A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
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Related reactions
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Compound notes
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