1,2,3-Trimethoxy-5-(2,4,6-trimethoxyphenoxy)benzene
Basic information
- CAS
58235-51-1- Standard SMILES
COc1cc(OC)c(Oc2cc(OC)c(OC)c(OC)c2)c(OC)c1- InChIKey
SHSFVRGGAGLRSO-UHFFFAOYSA-N- Molecular formula
- C18H22O7
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.13655304
Names & identifiers
- Preferred name
- 1,2,3-Trimethoxy-5-(2,4,6-trimethoxyphenoxy)benzene
- IUPAC
- 1,2,3-trimethoxy-5-(2,4,6-trimethoxyphenoxy)benzene
Names & synonyms
58235-51-11,2,3-trimethoxy-5-(2,4,6-trimethoxyphenoxy)benzeneNSC235164DTXSID00310994NSC-235164
Database identifiers
- CAS
58235-51-1- PubChem CID
- 314873
- DTXSID
DTXSID00310994
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 352
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Compound notes
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