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Home > Indoles and Oxindole > 104599-10-2
104599-10-2 | 2-(4-Hydroxyphenyl)-1-[(4-hydroxyphenyl)methyl]-3-methyl-1H-indol-5-ol
CAS No: 104599-10-2 Catalog No: AG0039XA MDL No:
Product Description
Catalog Number:
AG0039XA
Chemical Name:
2-(4-Hydroxyphenyl)-1-[(4-hydroxyphenyl)methyl]-3-methyl-1H-indol-5-ol
CAS Number:
104599-10-2
Molecular Formula:
C22H19NO3
Molecular Weight:
345.3912
IUPAC Name:
2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methyl]-3-methylindol-5-ol
InChI:
InChI=1S/C22H19NO3/c1-14-20-12-19(26)10-11-21(20)23(13-15-2-6-17(24)7-3-15)22(14)16-4-8-18(25)9-5-16/h2-12,24-26H,13H2,1H3
InChI Key:
JPMOCTUKPAGCTC-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Cn1c2ccc(cc2c(c1c1ccc(cc1)O)C)O
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.136g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
345.398g/mol
Monoisotopic Mass:
345.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Tethered indoles as functionalizable ligands for the estrogen receptor. | Bioorganic & medicinal chemistry letters 20090115 |
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