2-Methyl-3,3-diphenylprop-2-enal
Basic information
- CAS
1213-69-0- Standard SMILES
CC(C=O)=C(c1ccccc1)c1ccccc1- InChIKey
PAHQCZOQDFWMHM-UHFFFAOYSA-N- Molecular formula
- C16H14O
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.10446507
Names & identifiers
- Preferred name
- 2-Methyl-3,3-diphenylprop-2-enal
- IUPAC
- 2-methyl-3,3-diphenylprop-2-enal
Names & synonyms
1213-69-02-methyl-3,3-diphenylprop-2-enal2-Propenal,2-methyl-3,3-diphenyl-NSC120376SCHEMBL2222239SCHEMBL28244887DTXSID30298039NSC-120376DS-004404
Database identifiers
- CAS
1213-69-0- PubChem CID
- 274351
- DTXSID
DTXSID30298039- Nikkaji
- J3.772.939F
Properties
Computed structural properties
- XLogP
- 4.1
- 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
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Compound notes
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