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Home > Indoles and Oxindole > 1952336-77-4
1952336-77-4 | (1-(5-hydroxypentyl)-1H-indol-3-yl)(4-hydroxyphenyl)methanone
CAS No: 1952336-77-4 Catalog No: AG01EP0C MDL No:
Product Description
Catalog Number:
AG01EP0C
Chemical Name:
(1-(5-hydroxypentyl)-1H-indol-3-yl)(4-hydroxyphenyl)methanone
CAS Number:
1952336-77-4
Molecular Formula:
C20H21NO3
Molecular Weight:
323.3856
IUPAC Name:
[1-(5-hydroxypentyl)indol-3-yl]-(4-hydroxyphenyl)methanone
InChI:
InChI=1S/C20H21NO3/c22-13-5-1-4-12-21-14-18(17-6-2-3-7-19(17)21)20(24)15-8-10-16(23)11-9-15/h2-3,6-11,14,22-23H,1,4-5,12-13H2
InChI Key:
MNXXREQGUWIZBH-UHFFFAOYSA-N
SMILES:
OCCCCCn1cc(c2c1cccc2)C(=O)c1ccc(cc1)O
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.392g/mol
Monoisotopic Mass:
323.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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