Basic information
- Standard SMILES
COc1ccc(-c2cccc3[nH]ccc23)cc1- InChIKey
PWBREZOWTBABKQ-UHFFFAOYSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.09971404
Names & identifiers
- Preferred name
- 4-(4-Methoxyphenyl)-1H-indole
- IUPAC
- 4-(4-methoxyphenyl)-1H-indole
Names & synonyms
4-(4-Methoxyphenyl)-1H-indoleSCHEMBL6322049SCHEMBL31413326PWBREZOWTBABKQ-UHFFFAOYSA-N4-(4-Methoxy-phenyl)-1H-indoleA1-94830
Database identifiers
- PubChem CID
- 22561940
- Nikkaji
- J2.681.349B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 25 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
Related reactions
6 records
Compound notes
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