3-(4-methoxyphenyl)-1H-indole-2-carboxylic acid
Basic information
- CAS
70794-11-5- Standard SMILES
COc1ccc(-c2c(C(=O)O)[nH]c3ccccc23)cc1- InChIKey
YMCBOVUBWVQGIK-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- 3-(4-methoxyphenyl)-1H-indole-2-carboxylic acid
- IUPAC
- 3-(4-methoxyphenyl)-1H-indole-2-carboxylic acid
- English name
- 3-(4-Methoxy-phenyl)-1H-indole-2-carboxylic acid
- Molecular formula
- C16H13NO3
- Molecular weight
- 267.28
Names & synonyms
70794-11-53-(4-methoxyphenyl)-1H-indole-2-carboxylic acid3-(4-METHOXY-PHENYL)-1H-INDOLE-2-CARBOXYLIC ACIDMFCD06739126NSC2893513-(4-Methoxyphenyl)-1H-indole-2-carboxylicacidSCHEMBL4883914DTXSID60314852AB28657NSC-289351DB-074345CS-0342197
Show more names
2-carboxy-3-(p-methoxyphenyl)indole1H-Indole-2-carboxylic acid, 3-(4-methoxyphenyl)-
Database identifiers
- CAS
70794-11-5- PubChem CID
- 324306
- DTXSID
DTXSID60314852
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
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Compound notes
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