4-(Benzyloxy)indolin-2-one - CAS 458526-10-8

Catalog:	BB025995
Product Name:	4-(Benzyloxy)indolin-2-one
CAS:	458526-10-8
Synonyms:	4-phenylmethoxy-1,3-dihydroindol-2-one; 4-phenylmethoxy-1,3-dihydroindol-2-one

Technical Data

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Computed Properties

IUPAC Name:	4-phenylmethoxy-1,3-dihydroindol-2-one
Description:	4-(Benzyloxy)indolin-2-one (CAS# 458526-10-8) is a useful research chemical.
Molecular Weight:	239.27
Molecular Formula:	C15H13NO2
Canonical SMILES:	C1C2=C(C=CC=C2OCC3=CC=CC=C3)NC1=O
InChI:	InChI=1S/C15H13NO2/c17-15-9-12-13(16-15)7-4-8-14(12)18-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,17)
InChI Key:	KMXQQIBTRJERJG-UHFFFAOYSA-N
LogP:	2.89820

Publication Number	Title	Priority Date
WO-2021203023-A1	Indole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
US-2005090498-A1	3-Quinolin-2(1h)-ylideneindolin-2-one derivative	20010524
EP-1370527-A1	Indolone derivatives having vascular-damaging activity	20010306
JP-2004529110-A	Indole derivatives with vascular damage activity	20010306
US-2004147589-A1	Indolone derivatives having vascular damaging activity	20010306

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Complexity:	299
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.094628657
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.094628657
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2