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101910-24-1 | Benzenemethanol, α-pentyl-3-(2-quinolinylmethoxy)-
CAS No: 101910-24-1 Catalog No: AG0005X0 MDL No:
Product Description
Catalog Number:
AG0005X0
Chemical Name:
Benzenemethanol, α-pentyl-3-(2-quinolinylmethoxy)-
CAS Number:
101910-24-1
Molecular Formula:
C22H25NO2
Molecular Weight:
335.4394
IUPAC Name:
1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
InChI:
InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
InChI Key:
JRLOEMCOOZSCQP-UHFFFAOYSA-N
SMILES:
CCCCCC(c1cccc(c1)OCc1ccc2c(n1)cccc2)O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.189g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.447g/mol
Monoisotopic Mass:
335.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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