3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one

C28H23NO4 — CID 1409356

IUPAC3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C28H23NO4/c1-16-8-10-19(11-9-16)27-28(25(31)21-13-17(2)12-18(3)26(21)33-27)32-15-24(30)22-14-29-23-7-5-4-6-20(22)23/h4-14,29H,15H2,1-3H3
InChIKeyPCERHHCHZBTSNT-UHFFFAOYSA-N
MW437.50 g/mol
LogP6.13
Rot. Bonds5

About 3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one

3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one (PubChem CID 1409356) has the molecular formula C28H23NO4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one
PubChem CID1409356
Molecular FormulaC28H23NO4
Molecular Weight437.50 g/mol
Exact Mass437.16
IUPAC Name3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C28H23NO4/c1-16-8-10-19(11-9-16)27-28(25(31)21-13-17(2)12-18(3)26(21)33-27)32-15-24(30)22-14-29-23-7-5-4-6-20(22)23/h4-14,29H,15H2,1-3H3
InChIKeyPCERHHCHZBTSNT-UHFFFAOYSA-N
XLogP6.13
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one 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-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one
CID 1409351
2-phenylethyl 2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 1409463
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736590
5,7-dimethyl-2-(4-methylphenyl)-3-(2-oxopropoxy)chromen-4-one
CID 1413433
5,7-dimethyl-2-(4-methylphenyl)-3-(2-oxo-2-thiophen-2-ylethoxy)chromen-4-one
CID 1413434
1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone
CID 3534156
N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide
CID 113205562
2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone
CID 2989682
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
6,8-dichloro-2-(4-methylphenyl)-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one
CID 21001730
1-(1H-indol-3-yl)-3-(4-methylphenyl)propane-1,2-dione
CID 160732644

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one (CID 1409356) is 3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one is Cc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one?
The InChIKey is PCERHHCHZBTSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO4/c1-16-8-10-19(11-9-16)27-28(25(31)21-13-17(2)12-18(3)26(21)33-27)32-15-24(30)22-14-29-23-7-5-4-6-20(22)23/h4-14,29H,15H2,1-3H3.
What are the key properties of 3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one?
3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one has a molecular weight of 437.50 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 1409356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).