Basic information
- CAS
89765-23-1- Standard SMILES
CC(C)(CC=Cc1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCO2- InChIKey
KHEYAEKRHVCARL-UHFFFAOYSA-N- Molecular formula
- C25H24O3
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.17254462
Names & identifiers
- Preferred name
- 5-[2-Methyl-5-(3-phenoxyphenyl)pent-4-en-2-yl]-2H-1,3-benzodioxole
- IUPAC
- 5-[2-methyl-5-(3-phenoxyphenyl)pent-4-en-2-yl]-1,3-benzodioxole
Names & synonyms
89765-23-1SCHEMBL10547990DTXSID407082355-[2-Methyl-5-(3-phenoxyphenyl)pent-4-en-2-yl]-2H-1,3-benzodioxole
Database identifiers
- CAS
89765-23-1- PubChem CID
- 53994591
- DTXSID
DTXSID40708235
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 508
Related reactions
1 records
Compound notes
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