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Home > Indoles and Oxindole > 102651-69-4
102651-69-4 | Cyclohexanol, 3-[4-[(1-methylhexyl)oxy]-1H-indol-7-yl]-
CAS No: 102651-69-4 Catalog No: AG00081D MDL No:
Product Description
Catalog Number:
AG00081D
Chemical Name:
Cyclohexanol, 3-[4-[(1-methylhexyl)oxy]-1H-indol-7-yl]-
CAS Number:
102651-69-4
Molecular Formula:
C21H31NO2
Molecular Weight:
329.4763
IUPAC Name:
3-(4-heptan-2-yloxy-1H-indol-7-yl)cyclohexan-1-ol
InChI:
InChI=1S/C21H31NO2/c1-3-4-5-7-15(2)24-20-11-10-18(21-19(20)12-13-22-21)16-8-6-9-17(23)14-16/h10-13,15-17,22-23H,3-9,14H2,1-2H3
InChI Key:
DXXCPIUNUQXSEP-UHFFFAOYSA-N
SMILES:
CCCCCC(Oc1ccc(c2c1cc[nH]2)C1CCCC(C1)O)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.235g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.484g/mol
Monoisotopic Mass:
329.235g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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