1-(Benzyloxy)-2-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
Basic information
- CAS
90047-70-4- Standard SMILES
COc1ccc(C(c2ccc(OCc3ccccc3)c(OC)c2)C(Cl)(Cl)Cl)cc1- InChIKey
IDFHDOZLDZUZEG-UHFFFAOYSA-N- Molecular formula
- C23H21Cl3O3
- Average molar mass
- 451.8 g/mol
- Monoisotopic mass
- 450.055628
Names & identifiers
- Preferred name
- 1-(Benzyloxy)-2-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
- IUPAC
- 2-methoxy-1-phenylmethoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
Names & synonyms
90047-70-41-(benzyloxy)-2-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzeneDTXSID101009119Benzene, 2-methoxy-1-(phenylmethoxy)-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)-
Database identifiers
- CAS
90047-70-4- PubChem CID
- 186512
- DTXSID
DTXSID101009119
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 470
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Compound notes
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