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Basic information
- Standard SMILES
COC(=O)c1ccc(I)c(OC=C(C)c2ccc3c(c2)C(C)(C)CCC3(C)C)c1- InChIKey
AFWFQIVTOQPBJY-UHFFFAOYSA-N- Molecular formula
- C25H29IO3
- Average molar mass
- 504.4 g/mol
Names & identifiers
- Preferred name
- Methyl 4-iodo-3-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propenyloxy]benzoate
- IUPAC
- methyl 4-iodo-3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enoxy]benzoate
Names & synonyms
methyl 4-iodo-3-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propenyloxy]benzoateMethyl 4-iodo-3-[2-[5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl]-1-propenyloxy]benzoateSCHEMBL6730317AFWFQIVTOQPBJY-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 53640751
Properties
Computed structural propertiesFilling in
- XLogP
- 8.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 624
Related reactions
4 records
Compound notes
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