Basic information
- CAS
18621-26-6- Standard SMILES
CC(=O)COc1cc(C)cc(C)c1- InChIKey
FOTWPARMSCBQBA-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 1-(3,5-Dimethylphenoxy)propan-2-one
- IUPAC
- 1-(3,5-dimethylphenoxy)propan-2-one
Names & synonyms
1-(3,5-dimethylphenoxy)propan-2-one18621-26-6AB-131/423016761-(3,5-dimethylphenoxy)acetoneNSC210927starbld0004308SCHEMBL8778112DTXSID40309049FOTWPARMSCBQBA-UHFFFAOYSA-N1-(3,5-dimethylphenoxy)-2-propanoneAKOS003382315NSC-210927
Show more names
CS-0133201
Database identifiers
- CAS
18621-26-6- PubChem CID
- 308830
- DTXSID
DTXSID40309049- Nikkaji
- J1.642.632F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Related reactions
4 records
Compound notes
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