5-Methoxy-1-(trifluoromethyl)-1-indanol - CAS 188726-17-2
Catalog: |
BB014542 |
Product Name: |
5-Methoxy-1-(trifluoromethyl)-1-indanol |
CAS: |
188726-17-2 |
Synonyms: |
5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol; 5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol |
IUPAC Name: | 5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol |
Description: | 5-Methoxy-1-(trifluoromethyl)-1-indanol (CAS# 188726-17-2 ) is a useful research chemical. |
Molecular Weight: | 232.20 |
Molecular Formula: | C11H11F3O2 |
Canonical SMILES: | COC1=CC2=C(C=C1)C(CC2)(C(F)(F)F)O |
InChI: | InChI=1S/C11H11F3O2/c1-16-8-2-3-9-7(6-8)4-5-10(9,15)11(12,13)14/h2-3,6,15H,4-5H2,1H3 |
InChI Key: | ITSJGTVWYFIFMW-UHFFFAOYSA-N |
LogP: | 2.39130 |
Publication Number | Title | Priority Date |
US-6329396-B1 | Substituted benzylaminopiperidine compounds | 19960610 |
BG-64126-B1 | SUBSTITUTED BENZILAMINOPIPERIDINS | 19950824 |
CZ-297543-B6 | Substituted benzylaminopiperidines, their use and pharmaceutical compositions based thereon | 19950824 |
CZ-52198-A3 | Substituted benzylaminopiperidines and a pharmaceutical composition thereof | 19950824 |
EP-0861235-A1 | Substituted benzylaminopiperidine compounds | 19950824 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.07111408 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.07111408 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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