Basic information
- CAS
874130-57-1- Standard SMILES
COc1ccc(OC(=O)c2cc(C)cc(OC)c2I)cc1- InChIKey
KECAEPYLLGIMQX-UHFFFAOYSA-N- Molecular formula
- C16H15IO4
- Average molar mass
- 398.19 g/mol
- Monoisotopic mass
- 398.00151
Names & identifiers
- Preferred name
- Benzoic acid, 2-iodo-3-methoxy-5-methyl-, 4-methoxyphenyl ester
- IUPAC
- (4-methoxyphenyl) 2-iodo-3-methoxy-5-methylbenzoate
Names & synonyms
874130-57-1Benzoic acid, 2-iodo-3-methoxy-5-methyl-, 4-methoxyphenyl esterDTXSID90470450RefChem:326914DTXCID704212684-Methoxyphenyl 2-iodo-3-methoxy-5-methylbenzoate
Database identifiers
- CAS
874130-57-1- PubChem CID
- 11675657
- DTXSID
DTXSID90470450
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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