Basic information
- CAS
837-66-1- Standard SMILES
CC(=O)C=C(c1ccccc1)c1ccccc1- InChIKey
KCHQXPGUJBVNTN-UHFFFAOYSA-N- Molecular formula
- C16H14O
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.10446507
Names & identifiers
- Preferred name
- 4,4-Diphenyl-3-buten-2-one
- IUPAC
- 4,4-diphenylbut-3-en-2-one
Names & synonyms
4,4-Diphenyl-3-buten-2-one837-66-1DTXSID80346610RefChem:1069349DTXCID702976824,4-diphenylbut-3-en-2-one3-Buten-2-one, 4,4-diphenyl-DiphenylbutenoneSCHEMBL48630984,4-diphenyl-but-3-en-2-oneKCHQXPGUJBVNTN-UHFFFAOYSA-N4,4-Diphenyl-3-buten-2-one #
Database identifiers
- CAS
837-66-1- PubChem CID
- 613558
- DTXSID
DTXSID80346610- Nikkaji
- J1.163.749C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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