alpha,alpha-Bis(1,1-dimethylethyl)-2-methoxybenzenemethanol
Basic information
- CAS
16750-65-5- Standard SMILES
COc1ccccc1C(O)(C(C)(C)C)C(C)(C)C- InChIKey
QCMYOQOWTUODQF-UHFFFAOYSA-N- Molecular formula
- C16H26O2
- Average molar mass
- 250.38 g/mol
- Monoisotopic mass
- 250.19328007
Names & identifiers
- Preferred name
- alpha,alpha-Bis(1,1-dimethylethyl)-2-methoxybenzenemethanol
- IUPAC
- 3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
Names & synonyms
16750-65-5RefChem:318135alpha,alpha-Bis(1,1-dimethylethyl)-2-methoxybenzenemethanol3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-olSCHEMBL28308633QCMYOQOWTUODQF-UHFFFAOYSA-NDTXSID301222626.alpha.,.alpha.-Di-T-butyl-O-methoxybenzyl alcohol3-(2-Methoxyphenyl)-2,2,4,4-tetramethyl-3-pentanol #I+/-,I+/--Bis(1,1-dimethylethyl)-2-methoxybenzenemethanol
Database identifiers
- CAS
16750-65-5- PubChem CID
- 606344
- DTXSID
DTXSID301222626- Nikkaji
- J542.966H
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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