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 |
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 |
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 |
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