1H-Indole-3-acetic acid, 1-(2-cyclohexyl-2-oxoethyl)-5-methoxy-2-methyl-
Basic information
- CAS
106287-92-7- Standard SMILES
COc1ccc2c(c1)c(CC(=O)O)c(C)n2CC(=O)C1CCCCC1- InChIKey
OWWZKHOBMDDUBP-UHFFFAOYSA-N- Molecular formula
- C20H25NO4
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.17835828
Names & identifiers
- Preferred name
- 1H-Indole-3-acetic acid, 1-(2-cyclohexyl-2-oxoethyl)-5-methoxy-2-methyl-
- IUPAC
- 2-[1-(2-cyclohexyl-2-oxoethyl)-5-methoxy-2-methylindol-3-yl]acetic acid
- English name
- 1-(2-Cyclohexyl-2-oxoethyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid
- Molecular formula
- C20H25NO4
- Molecular weight
- 343.42
Names & synonyms
106287-92-7BRN 56230011-(2-Cyclohexyl-2-oxoethyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid1H-INDOLE-3-ACETIC ACID, 1-(2-CYCLOHEXYL-2-OXOETHYL)-5-METHOXY-2-METHYL-DTXSID40147564RefChem:239010DTXCID20700552-[1-(2-cyclohexyl-2-oxoethyl)-5-methoxy-2-methylindol-3-yl]acetic acid[1-(2-cyclohexyl-2-oxoethyl)-5-methoxy-2-methyl-1h-indol-3-yl]acetic acid
Database identifiers
- CAS
106287-92-7- PubChem CID
- 60127
- DTXSID
DTXSID40147564
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
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Compound notes
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