1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl-
Basic information
- CAS
61862-73-5- Standard SMILES
CCOC(c1ccccc1)c1c(C(=O)O)n(C)c2ccccc12- InChIKey
FLDCPJIPCJSLPT-UHFFFAOYSA-N- Molecular formula
- C19H19NO3
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.13649347
Names & identifiers
- Preferred name
- 1H-Indole-2-carboxylic acid, 3-(ethoxyphenylmethyl)-1-methyl-
- IUPAC
- 3-[ethoxy(phenyl)methyl]-1-methylindole-2-carboxylic acid
Names & synonyms
BRN 04341031-Methyl-2-carboxy-3-(alpha-ethoxybenzyl)indole61862-73-53-(Ethoxyphenylmethyl)-1-methyl-1H-indole-2-carboxylic acid1H-INDOLE-2-CARBOXYLIC ACID, 3-(ETHOXYPHENYLMETHYL)-1-METHYL-RefChem:2389715-22-05-00343 (Beilstein Handbook Reference)DTXSID609774263-[Ethoxy(phenyl)methyl]-1-methyl-1H-indole-2-carboxylic acid
Database identifiers
- CAS
61862-73-5- PubChem CID
- 43808
- DTXSID
DTXSID60977426
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
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Compound notes
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