Basic information
- CAS
6332-35-0- Standard SMILES
O=C(O)C(Cc1cc(I)c(O)c(I)c1)C1CCCCC1- InChIKey
IPJUCJDVODBCRQ-UHFFFAOYSA-N- Molecular formula
- C15H18I2O3
- Average molar mass
- 500.11 g/mol
- Monoisotopic mass
- 499.93454
Names & identifiers
- Preferred name
- alpha-Cyclohexyl-beta-(3,5-diiodo-4-hydroxyphenyl)propionic acid
- IUPAC
- 2-cyclohexyl-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
Names & synonyms
NSC32963NSC-329636332-35-03W5667U7C0alpha-Cyclohexyl-beta-(3,5-diiodo-4-hydroxyphenyl)propionic acidUNII-3W5667U7C0NSC 329632-cyclohexyl-3-(4-hydroxy-3,5-diiodophenyl)propanoic acidHydrocinnamic acid,5-diiodo-Benzenepropanoic acid,5-diiodo-CHEMBL2003535SCHEMBL21048108
Show more names
Benzenepropanoic acid, alpha-cyclohexyl-4-hydroxy-3,5-diiodo-Hydrocinnamic acid, .alpha.-cyclohexyl-4-hydroxy-3,5-diiodo-Benzenepropanoic acid, .alpha.-cyclohexyl-4-hydroxy-3,5-diiodo-NCI60_002881Q27258120.ALPHA.-CYCLOHEXYL-4-HYDROXY-3,5-DIIODOHYDROCINNAMIC ACID.ALPHA.-CYCLOHEXYL-.BETA.-(3,5-DIIODO-4-HYDROXYPHENYL)PROPIONIC ACID
Database identifiers
- CAS
6332-35-0- PubChem CID
- 22792
- ChEMBL
CHEMBL2003535- UNII
- 3W5667U7C0
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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