2-(2,4-Dimethoxyphenyl)-3-methylbutan-2-ol
Basic information
- CAS
6168-39-4- Standard SMILES
COc1ccc(C(C)(O)C(C)C)c(OC)c1- InChIKey
LNLATAQPCHWIOX-UHFFFAOYSA-N- Molecular formula
- C13H20O3
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.1412445
Names & identifiers
- Preferred name
- 2-(2,4-Dimethoxyphenyl)-3-methylbutan-2-ol
- IUPAC
- 2-(2,4-dimethoxyphenyl)-3-methylbutan-2-ol
- English name
- LL 248
- Molecular formula
- C13H20O3
- Molecular weight
- 224.3
Names & synonyms
6168-39-42-(2,4-dimethoxyphenyl)-3-methylbutan-2-olDTXSID30977251RefChem:1060753DTXCID101404608LL 2482-(2,4-Dimethoxyphenyl)-3-methyl-butan-2-olMFCD01732814BRN 24548052,4-Dimethoxy-alpha-isopropyl-alpha-methylbenzyl alcohol(Dimethoxy-2',4' phenyl)-2 methyl-3 butanol 2 [French](Dimethoxy-2',4' phenyl)methyl-isopropyl-carbinol [French]
Show more names
2,4-Dimethoxy-α-methyl-α-(1-methylethyl)benzenemethanolBenzenemethanol, 2,4-dimethoxy-α-methyl-α-(1-methylethyl)-
BENZYL ALCOHOL, 2,4-DIMETHOXY-alpha-ISOPROPYL-alpha-METHYL-(Dimethoxy-2',4' phenyl)-2 methyl-3 butanol 2(Dimethoxy-2',4' phenyl)methyl-isopropyl-carbinolSCHEMBL30200249AKOS012096028F400372
Database identifiers
- CAS
6168-39-4- PubChem CID
- 22548
- DTXSID
DTXSID30977251
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 67 °C · 67 °C
- Boiling point
- 344.2 · 344.2±37.0 °C(Predicted)
- Density
- 1.026 · 1.026±0.06 g/cm3(Predicted)
- pka
- 14.18 · 14.18±0.29(Predicted)
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 950mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intraperitoneal in mouse: 950mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…