Basic information
- CAS
26180-30-3- Standard SMILES
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)O)cc1- InChIKey
HBCZMEBBIJRTOC-UHFFFAOYSA-N- Molecular formula
- C18H15NO2
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.11027872
Overview
4-(2-methyl-5-phenyl-1-pyrrolyl)benzoic acid is a member of pyrroles.
Names & identifiers
- Preferred name
- Benzoic acid, p-(2-methyl-5-phenylpyrrol-1-yl)-
- IUPAC
- 4-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid
Names & synonyms
26180-30-3Benzoic acid, p-(2-methyl-5-phenylpyrrol-1-yl)-p-(2-Methyl-5-phenylpyrrol-1-yl)benzoic acidDTXSID10180807RefChem:327815DTXCID101032984-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid4-(2-methyl-5-phenylpyrrol-1-yl)benzoic acidMLS0005872404-(2-methyl-5-phenyl-pyrrol-1-yl)benzoic acidSMR0002112984-(2-methyl-5-phenyl-1-pyrrolyl)benzoic acid
Show more names
4-(2-Methyl-5-phenyl-pyrrol-1-yl)-benzoic acidCBMicro_049473Oprea1_031091cid_213331CHEMBL1368206BDBM52455CHEBI:120008HMS2610E17
Database identifiers
- CAS
26180-30-3- PubChem CID
- 213331
- DTXSID
DTXSID10180807- ChEMBL
CHEMBL1368206- ChEBI
CHEBI:120008
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
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…