2-Pyridinemethanol, 3,4-dimethyl-alpha-(3,4,5-trimethoxyphenyl)-
Basic information
- CAS
57330-95-7- Standard SMILES
COc1cc(C(O)c2nccc(C)c2C)cc(OC)c1OC- InChIKey
UMGQVIOGHDLFBI-UHFFFAOYSA-N- Molecular formula
- C17H21NO4
- Average molar mass
- 303.35 g/mol
- Monoisotopic mass
- 303.14705815
Names & identifiers
- Preferred name
- 2-Pyridinemethanol, 3,4-dimethyl-alpha-(3,4,5-trimethoxyphenyl)-
- IUPAC
- (3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol
Names & synonyms
57330-95-72-Pyridinemethanol, 3,4-dimethyl-alpha-(3,4,5-trimethoxyphenyl)-RefChem:10646743,4,5-Trimethoxyphenyl-(3,4-dimethyl-2-pyridyl)carbinol3,4-Dimethyl-alpha-(3,4,5-trimethoxyphenyl)-2-pyridinemethanolSCHEMBL11722622DTXSID30972842UMGQVIOGHDLFBI-UHFFFAOYSA-N3,4,5-trimethoxyphenyl-(3,4-dimethyl-2-pyridyl) carbinol(3,4-DIMETHYLPYRIDIN-2-YL)(3,4,5-TRIMETHOXYPHENYL)METHANOL
Database identifiers
- CAS
57330-95-7- PubChem CID
- 3044481
- DTXSID
DTXSID30972842
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 327
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Related reactions
2 records
Compound notes
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