Name: Name:2-(4-Hydroxyphenyl)-1-[(4-hydroxyphenyl)methyl]-3-methyl-1H-indol-5-ol
Brand: Angene
SKU: AG0039XA
Rating: 90 (10 reviews)

2-(4-Hydroxyphenyl)-1-[(4-hydroxyphenyl)methyl]-3-methyl-1H-indol-5-ol

CAS No.:

104599-10-2

Catalog Number:

AG0039XA

Molecular Formula:

C22H19NO3

Molecular Weight:

345.3912

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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

MDL Number:

MFCD28400016

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

345.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

345.398g/mol

Monoisotopic Mass:

345.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6

Literature

Title	Journal
Tethered indoles as functionalizable ligands for the estrogen receptor.	Bioorganic & medicinal chemistry letters 20090115