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Basic information
- Standard SMILES
Cc1[nH]c(C)c(C(=O)c2ccccc2Cc2ccccc2)c1C- InChIKey
LDILMWMGBVILRE-UHFFFAOYSA-N- Molecular formula
- C21H21NO
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.16231429
Names & identifiers
- Preferred name
- (2-benzylphenyl)-(2,4,5-trimethyl-1H-pyrrol-3-yl)methanone
- IUPAC
- (2-benzylphenyl)-(2,4,5-trimethyl-1H-pyrrol-3-yl)methanone
Names & synonyms
Bio1_000070CBiol_001784SCHEMBL22986510Bio1_000559Bio1_001048
Database identifiers
- PubChem CID
- 3424
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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