Basic information
- CAS
135626-42-5- Standard SMILES
COc1cc(C)c(OC)c(OC)c1C(C)C- InChIKey
MAUVOSNIBLQEQI-UHFFFAOYSA-N- Molecular formula
- C13H20O3
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.1412445
Names & identifiers
- Preferred name
- Benzene, 1,3,4-trimethoxy-5-methyl-2-(1-methylethyl)-
- IUPAC
- 1,3,4-trimethoxy-5-methyl-2-propan-2-ylbenzene
Names & synonyms
O-MethylespintanolBenzene, 1,3,4-trimethoxy-5-methyl-2-(1-methylethyl)-1,3,4-trimethoxy-5-methyl-2-propan-2-yl-benzene135626-42-5DTXSID40159480RefChem:323338DTXCID0081971CHEMBL4647101,3,4-Trimethoxy-5-methyl-2-(propan-2-yl)benzene
Database identifiers
- CAS
135626-42-5- PubChem CID
- 178273
- DTXSID
DTXSID40159480- ChEMBL
CHEMBL464710
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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