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Home > Indoles and Oxindole > 1630022-96-6
1630022-96-6 | [1-(4-hydroxypentyl)-1H-indol-3-yl](4-hydroxyphenyl)-methanone
CAS No: 1630022-96-6 Catalog No: AG01EOZY MDL No:
Product Description
Catalog Number:
AG01EOZY
Chemical Name:
[1-(4-hydroxypentyl)-1H-indol-3-yl](4-hydroxyphenyl)-methanone
CAS Number:
1630022-96-6
Molecular Formula:
C20H21NO3
Molecular Weight:
323.3856
IUPAC Name:
[1-(4-hydroxypentyl)indol-3-yl]-(4-hydroxyphenyl)methanone
InChI:
InChI=1S/C20H21NO3/c1-14(22)5-4-12-21-13-18(17-6-2-3-7-19(17)21)20(24)15-8-10-16(23)11-9-15/h2-3,6-11,13-14,22-23H,4-5,12H2,1H3
InChI Key:
JXSIBZRVKUYYOZ-UHFFFAOYSA-N
SMILES:
CC(CCCn1cc(c2c1cccc2)C(=O)c1ccc(cc1)O)O
Properties
Complexity:
419
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:
6
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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