1-Methoxy-1,3,3-trimethyl-2-benzofuran
Basic information
- CAS
16703-33-6- Standard SMILES
COC1(C)OC(C)(C)c2ccccc21- InChIKey
OMOOEIURIVHTEF-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 1-Methoxy-1,3,3-trimethyl-2-benzofuran
- IUPAC
- 1-methoxy-1,3,3-trimethyl-2-benzofuran
- English name
- 1-Methoxy-1,3,3-trimethyl-1,3-dihydroisobenzofuran
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
1-methoxy-1,3,3-trimethyl-2-benzofuran16703-33-6DTXSID40341762RefChem:231214DTXCID002928421-Methoxy-1,3,3-trimethyl-1,3-dihydroisobenzofuran1-Methoxy-1,3,3-trimethyl-1,3-dihydro-2-benzofuranSCHEMBL27428699Isobenzofuran, 1,3-dihydro-1-methoxy-1,3,3-trimethyl-
Database identifiers
- CAS
16703-33-6- PubChem CID
- 575549
- DTXSID
DTXSID40341762- Nikkaji
- J103.926A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
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Compound notes
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