4-Methoxy-4-(3-methylphenyl)oxane
Basic information
- CAS
145127-35-1- Standard SMILES
COC1(c2cccc(C)c2)CCOCC1- InChIKey
KUFHQHGDYTVNMJ-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 4-Methoxy-4-(3-methylphenyl)oxane
- IUPAC
- 4-methoxy-4-(3-methylphenyl)oxane
Names & synonyms
4-methoxy-4-(3-methylphenyl)oxane145127-35-1Tetrahydro-4-methoxy-4-(3-methylphenyl)-2H-pyranSCHEMBL9430065SCHEMBL12672077DTXSID001239781
Database identifiers
- CAS
145127-35-1- PubChem CID
- 10104439
- DTXSID
DTXSID001239781
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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