(1-Tert-butyl-5-phenyl-1h-pyrrol-3-yl)(phenyl)methanone
Basic information
- CAS
55933-61-4- Standard SMILES
CC(C)(C)n1cc(C(=O)c2ccccc2)cc1-c1ccccc1- InChIKey
VGRZGTBQRGHSTL-UHFFFAOYSA-N- Molecular formula
- C21H21NO
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.16231429
Overview
(1-tert-butyl-5-phenyl-3-pyrrolyl)-phenylmethanone is an aromatic ketone.
Names & identifiers
- Preferred name
- (1-Tert-butyl-5-phenyl-1h-pyrrol-3-yl)(phenyl)methanone
- IUPAC
- (1-tert-butyl-5-phenylpyrrol-3-yl)-phenylmethanone
Names & synonyms
(1-tert-butyl-5-phenyl-1h-pyrrol-3-yl)(phenyl)methanone55933-61-4MLS000766154NSC150114(1-tert-butyl-5-phenylpyrrol-3-yl)-phenylmethanoneCHEMBL1312018DTXSID70971354CHEBI:105288HMS2884H13NSC-150114SMR000528631SR-01000768646
Show more names
(1-tert-butyl-5-phenyl-3-pyrrolyl)-phenylmethanoneSR-01000768646-2Q27183003
Database identifiers
- CAS
55933-61-4- PubChem CID
- 288774
- DTXSID
DTXSID70971354- ChEMBL
CHEMBL1312018- ChEBI
CHEBI:105288
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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