Basic information
- CAS
57734-67-5- Standard SMILES
COc1ccccc1C(O)(c1ccccc1OC)C1CN2CCC1CC2- InChIKey
CQPSVOBFSZOIEG-UHFFFAOYSA-N- Molecular formula
- C22H27NO3
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.19909372
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Quinuclidinyl-3-di(2-methoxyphenyl)carbinol
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl-bis(2-methoxyphenyl)methanol
Names & synonyms
57734-67-5Quinuclidinyl-3-di(2-methoxyphenyl)carbinolRefChem:178369quinuclidinyl-3-di(o-methoxyphenyl)carbinolalpha,alpha-Bis(o-methoxyphenyl)-3-quinuclidinemethanol(3-Quinuclidyl)-bis(o-methoxyphenyl)carbinolBenzhydrol, 2,2'-dimethoxy-alpha-(3-quinuclidinyl)-1-azabicyclo[2.2.2]octan-3-yl-bis(2-methoxyphenyl)methanolSCHEMBL117642793-Quinuclidinemethanol, alpha,alpha-bis(o-methoxyphenyl)-DTXSID70973318(3-quinuclidyl)-di-(2'-methoxyphenyl)carbinol
Show more names
(1-Azabicyclo[2.2.2]octan-3-yl)bis(2-methoxyphenyl)methanol
Database identifiers
- CAS
57734-67-5- PubChem CID
- 198366
- DTXSID
DTXSID70973318- Nikkaji
- J84.985E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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