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Home > Indoles and Oxindole > 41339-61-1
41339-61-1 | 1H-Indole-3-ethanol, 5-(phenylmethoxy)-
CAS No: 41339-61-1 Catalog No: AG0072BN MDL No:MFCD00544200
Product Description
Catalog Number:
AG0072BN
Chemical Name:
1H-Indole-3-ethanol, 5-(phenylmethoxy)-
CAS Number:
41339-61-1
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
MDL Number:
MFCD00544200
IUPAC Name:
2-(5-phenylmethoxy-1H-indol-3-yl)ethanol
InChI:
InChI=1S/C17H17NO2/c19-9-8-14-11-18-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,18-19H,8-9,12H2
InChI Key:
SQAUQUOZCKVQND-UHFFFAOYSA-N
SMILES:
OCCc1c[nH]c2c1cc(OCc1ccccc1)cc2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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