Basic information
- CAS
27720-54-3- Standard SMILES
CC1=C(C)CC(C(=O)c2ccccc2)=C(C(=O)c2ccccc2)C1- InChIKey
KDMUAKAUTZXNHO-UHFFFAOYSA-N- Molecular formula
- C22H20O2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.14632988
Names & identifiers
- Preferred name
- (4,5-Dimethylcyclohexa-1,4-diene-1,2-diyl)bis(phenylmethanone)
- IUPAC
- (2-benzoyl-4,5-dimethylcyclohexa-1,4-dien-1-yl)-phenylmethanone
Names & synonyms
27720-54-3(4,5-dimethylcyclohexa-1,4-diene-1,2-diyl)bis(phenylmethanone)DTXSID80303642RefChem:208447DTXCID10254774Methanone, (4,5-dimethyl-1,4-cyclohexadiene-1,2-diyl)bis[phenyl- (9CI)1,2-dibenzoyl-4,5-dimethyl-1,4-cyclohexadieneNSC159504starbld0027534(2-benzoyl-4,5-dimethylcyclohexa-1,4-dien-1-yl)-phenylmethanoneNSC-159504G82757
Database identifiers
- CAS
27720-54-3- PubChem CID
- 293173
- DTXSID
DTXSID80303642
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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