Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)-
Basic information
- CAS
26180-27-8- Standard SMILES
Cc1ccc(-c2ccccc2)n1-c1ccccc1C(=O)O- InChIKey
HDBAHTOZGLYRSE-UHFFFAOYSA-N- Molecular formula
- C18H15NO2
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.11027872
Names & identifiers
- Preferred name
- Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)-
- IUPAC
- 2-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid
Names & synonyms
26180-27-8Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)-o-(2-Methyl-5-phenylpyrrol-1-yl)benzoic acidDTXSID90180805RefChem:327755DTXCID901032962-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acidBenzoic acid,2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)-CBMicro_0015212-(2-methyl-5-phenylpyrrol-1-yl)benzoic acidOprea1_469505CHEMBL4546899
Show more names
SCHEMBL15714495SMSF0010372STL363617AKOS000285739CB02917CCG-274602BIM-0001342.P0012-(5-methyl-2-phenylpyrrolyl)benzoic acid
Database identifiers
- CAS
26180-27-8- PubChem CID
- 213328
- DTXSID
DTXSID90180805- ChEMBL
CHEMBL4546899
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
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Compound notes
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