4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide

C22H17NO3 — CID 11359856

IUPAC4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide
SMILESNC(=O)c1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1
InChIInChI=1S/C22H17NO3/c23-22(26)15-3-1-14(2-4-15)21-19-10-9-18(25)11-16(19)12-20(21)13-5-7-17(24)8-6-13/h1-11,24-25H,12H2,(H2,23,26)
InChIKeyYMUNHDVCHMLVMN-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.71
Rot. Bonds3

About 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide

4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide (PubChem CID 11359856) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide
PubChem CID11359856
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide
SMILESNC(=O)c1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1
InChIInChI=1S/C22H17NO3/c23-22(26)15-3-1-14(2-4-15)21-19-10-9-18(25)11-16(19)12-20(21)13-5-7-17(24)8-6-13/h1-11,24-25H,12H2,(H2,23,26)
InChIKeyYMUNHDVCHMLVMN-UHFFFAOYSA-N
XLogP3.71
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{[(9beta,14beta,16alpha,17alpha)-3,17-Dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
CID 44456599
3-Hydroxy-2-naphthalenecarboxamide
CID 19317
N-[1-(4-hydroxybenzyl)cyclohexyl]benzamide
CID 878337
5-Hydroxy-2-(4-hydroxy-phenyl)-3-phenyl-inden-1-one
CID 10125667
6-Hydroxy-2-(4-hydroxy-phenyl)-3-phenyl-inden-1-one
CID 10171898
4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
CID 56933896
N,3-dihydroxynaphthalene-2-carboxamide
CID 5272734
4-[5-Hydroxy-2-(4-hydroxy-phenyl)-3H-inden-1-yl]-benzoic acid
CID 11551915
1-{4-[5-Hydroxy-2-(4-hydroxy-phenyl)-3H-inden-1-yl]-phenyl}-ethanone
CID 44403942
3-[[(8R,9S,13S,14S,16R)-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]methyl]benzamide
CID 44456578
N-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide
CID 44529696
N-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide
CID 166633384

Frequently Asked Questions

What is the IUPAC name of 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide?
The IUPAC name of 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide (CID 11359856) is 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide.
What is the SMILES notation for 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide?
The canonical SMILES for 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide is NC(=O)c1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1.
What is the InChIKey of 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide?
The InChIKey is YMUNHDVCHMLVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c23-22(26)15-3-1-14(2-4-15)21-19-10-9-18(25)11-16(19)12-20(21)13-5-7-17(24)8-6-13/h1-11,24-25H,12H2,(H2,23,26).
What are the key properties of 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide?
4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide has a molecular weight of 343.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzamide is sourced from PubChem (CID 11359856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).