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125224-45-5

125224-45-5 | Cyclohexanol, 2-[(4-methoxyphenyl)methyl]-, (1S,2R)-

CAS No: 125224-45-5 Catalog No: AG000NDI MDL No:

Product Description

Catalog Number:
AG000NDI
Chemical Name:
Cyclohexanol, 2-[(4-methoxyphenyl)methyl]-, (1S,2R)-
CAS Number:
125224-45-5
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
InChI:
InChI=1S/C14H20O2/c1-16-13-8-6-11(7-9-13)10-12-4-2-3-5-14(12)15/h6-9,12,14-15H,2-5,10H2,1H3
InChI Key:
LOYHAUINIBKYQU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C[C@H]1CCCC[C@@H]1O

Properties

Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Literature

Title Journal
Insect pest control agents: Novel chiral butanoate esters (juvenogens). Bioorganic & medicinal chemistry 20070915
Koenigs-Knorr synthesis of cycloalkyl glycosides. Molecules (Basel, Switzerland) 20041130

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