Basic information
- CAS
71712-15-7- Standard SMILES
COc1ccc(C(C)c2cc3c(cc2O)OCO3)cc1- InChIKey
QMDPKFZRXHOXTD-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.10485899
Names & identifiers
- Preferred name
- 6-(1-(4-Methoxyphenyl)ethyl)-1,3-benzodioxol-5-ol
- IUPAC
- 6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxol-5-ol
Names & synonyms
NSC35364771712-15-76-(1-(4-methoxyphenyl)ethyl)-1,3-benzodioxol-5-ol6-[1-[4-Methoxyphenyl]ethyl]-1,3-benzodioxol-5-olNSC-353647Oprea1_332574CHEMBL299433SCHEMBL142840066-[1-(4-methoxyphenyl)ethyl]-2H-1,3-benzodioxol-5-olDTXSID30320001QMDPKFZRXHOXTD-UHFFFAOYSA-NNSC7353647
Show more names
NCI60_003175
Database identifiers
- CAS
71712-15-7- PubChem CID
- 337029
- DTXSID
DTXSID30320001- ChEMBL
CHEMBL299433
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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