1-Iodo-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-5-phenylpentane
Basic information
- Standard SMILES
COc1c(C)c(C)c(OC)c(C(CCCCI)c2ccccc2)c1C- InChIKey
XEBKQGQHHMSNNF-UHFFFAOYSA-N- Molecular formula
- C22H29IO2
- Average molar mass
- 452.4 g/mol
Names & identifiers
- Preferred name
- 1-Iodo-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-5-phenylpentane
- IUPAC
- 1-(5-iodo-1-phenylpentyl)-2,5-dimethoxy-3,4,6-trimethylbenzene
Names & synonyms
SCHEMBL9311108XEBKQGQHHMSNNF-UHFFFAOYSA-N1-iodo-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-5-phenylpentane
Database identifiers
- PubChem CID
- 19088084
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 369
Related reactions
4 records
Compound notes
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