2-(1H-indol-2-yl)-4-methylphenol
Basic information
- CAS
58697-57-7- Standard SMILES
Cc1ccc(O)c(-c2cc3ccccc3[nH]2)c1- InChIKey
MUKYIYYGYCUBRL-UHFFFAOYSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.09971404
Names & identifiers
- Preferred name
- 2-(1H-indol-2-yl)-4-methylphenol
- IUPAC
- 2-(1H-indol-2-yl)-4-methylphenol
Names & synonyms
2-(1H-indol-2-yl)-4-methylphenol58697-57-7Phenol, 2-(1H-indol-2-yl)-4-methyl-HMS2416L06SMR000107057Oprea1_451184MLS000111130CHEMBL1502851SCHEMBL11478915DTXSID60361927
Database identifiers
- CAS
58697-57-7- PubChem CID
- 1349072
- DTXSID
DTXSID60361927- ChEMBL
CHEMBL1502851
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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