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Home > Indoles and Oxindole > 88561-11-9
88561-11-9 | Phenol, 4-(1-butyl-1H-indol-2-yl)-
CAS No: 88561-11-9 Catalog No: AG004CAD MDL No:
Product Description
Catalog Number:
AG004CAD
Chemical Name:
Phenol, 4-(1-butyl-1H-indol-2-yl)-
CAS Number:
88561-11-9
Molecular Formula:
C18H19NO
Molecular Weight:
265.3496
IUPAC Name:
4-(1-butylindol-2-yl)phenol
InChI:
InChI=1S/C18H19NO/c1-2-3-12-19-17-7-5-4-6-15(17)13-18(19)14-8-10-16(20)11-9-14/h4-11,13,20H,2-3,12H2,1H3
InChI Key:
MNRWUJDTBGJCCJ-UHFFFAOYSA-N
SMILES:
CCCCn1c(cc2c1cccc2)c1ccc(cc1)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.356g/mol
Monoisotopic Mass:
265.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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