Basic information
- CAS
61683-81-6- Standard SMILES
CC1(C)COC(c2ccc(O)cc2)OC1- InChIKey
OWZIEIAHHJTZIB-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 4-(5,5-Dimethyl-1,3-dioxan-2-yl)phenol
- IUPAC
- 4-(5,5-dimethyl-1,3-dioxan-2-yl)phenol
Names & synonyms
4-(5,5-dimethyl-1,3-dioxan-2-yl)phenol61683-81-6TimTec1_001622Oprea1_366073SCHEMBL19923127DTXSID401296535HMS1538J16SBB000474STK735775AKOS001756366NCGC00174236-01ST024152
Show more names
SR-01000091802SR-01000091802-1
Database identifiers
- CAS
61683-81-6- PubChem CID
- 698283
- DTXSID
DTXSID401296535- Nikkaji
- J2.164.439K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- 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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