Basic information
- CAS
75393-99-6- Standard SMILES
COc1cc2c(cc1C(C)c1ccc(O)cc1)OCO2- InChIKey
RQXBDYWNCHMOQC-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.10485899
Names & identifiers
- Preferred name
- 4-[1-(6-Methoxy-2H-1,3-benzodioxol-5-yl)ethyl]phenol
- IUPAC
- 4-[1-(6-methoxy-1,3-benzodioxol-5-yl)ethyl]phenol
Names & synonyms
75393-99-6NSC353653CHEMBL494274-[1-(6-Methoxy-2H-1,3-benzodioxol-5-yl)ethyl]phenolDTXSID90320002NSC-353653
Database identifiers
- CAS
75393-99-6- PubChem CID
- 337035
- DTXSID
DTXSID90320002- ChEMBL
CHEMBL49427
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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