Basic information
- CAS
81245-38-7- Standard SMILES
COCOc1cc(OC)ccc1I- InChIKey
JWNKDMGRHDYVNS-UHFFFAOYSA-N- Molecular formula
- C9H11IO3
- Average molar mass
- 294.09 g/mol
- Monoisotopic mass
- 293.97529221
Names & identifiers
- Preferred name
- 1-Iodo-4-methoxy-2-(methoxymethoxy)benzene
- IUPAC
- 1-iodo-4-methoxy-2-(methoxymethoxy)benzene
Names & synonyms
81245-38-71-Iodo-4-methoxy-2-(methoxymethoxy)benzeneBenzene, 1-iodo-4-methoxy-2-(methoxymethoxy)-SCHEMBL152605DTXSID70513874JWNKDMGRHDYVNS-UHFFFAOYSA-NMFCD347602882-iodo-5-methoxy-1-methoxymethoxybenzeneH76465
Database identifiers
- CAS
81245-38-7- PubChem CID
- 12955832
- DTXSID
DTXSID70513874- Nikkaji
- J2.849.235I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 143
Related reactions
7 records
Compound notes
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