1,1'-Methylenebis(3,4-dimethoxybenzene)
Basic information
- CAS
1158-27-6- Standard SMILES
COc1ccc(Cc2ccc(OC)c(OC)c2)cc1OC- InChIKey
XEGVJXFCBVQOPB-UHFFFAOYSA-N- Molecular formula
- C17H20O4
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.13615911
Names & identifiers
- Preferred name
- 1,1'-Methylenebis(3,4-dimethoxybenzene)
- IUPAC
- 4-[(3,4-dimethoxyphenyl)methyl]-1,2-dimethoxybenzene
Names & synonyms
1158-27-6Dopamine Impurity 23bis(3,4-dimethoxyphenyl)methaneCHEMBL2016664NSC1396321,1'-Methylenebis(3,4-dimethoxybenzene)SCHEMBL2095590SCHEMBL2095593SCHEMBL18315294DTXSID20921809BDBM50386170NSC-139632
Show more names
Benzene,1,1-methylenebis[3,4-dimethoxy-DS-006722
Database identifiers
- CAS
1158-27-6- PubChem CID
- 284045
- DTXSID
DTXSID20921809- ChEMBL
CHEMBL2016664- Nikkaji
- J844.148K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 269
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Compound notes
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