2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one

C26H21NO7 — CID 1409433

IUPAC2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one
SMILESCOc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C26H21NO7/c1-15-11-16(2)24-21(12-15)23(29)26(25(34-24)17-7-9-20(32-3)10-8-17)33-14-22(28)18-5-4-6-19(13-18)27(30)31/h4-13H,14H2,1-3H3
InChIKeyDLZSTWWFFSCIAB-UHFFFAOYSA-N
MW459.45 g/mol
LogP5.26
Rot. Bonds7

About 2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one

2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one (PubChem CID 1409433) has the molecular formula C26H21NO7 and a molecular weight of 459.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one
PubChem CID1409433
Molecular FormulaC26H21NO7
Molecular Weight459.45 g/mol
Exact Mass459.13
IUPAC Name2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one
SMILESCOc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C26H21NO7/c1-15-11-16(2)24-21(12-15)23(29)26(25(34-24)17-7-9-20(32-3)10-8-17)33-14-22(28)18-5-4-6-19(13-18)27(30)31/h4-13H,14H2,1-3H3
InChIKeyDLZSTWWFFSCIAB-UHFFFAOYSA-N
XLogP5.26
TPSA108.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.45
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]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

6,8-dichloro-2-(4-methylphenyl)-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one
CID 21001730
3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one
CID 1409356
N-[3-(4-methoxyphenyl)-8-methyl-4-oxochromen-2-yl]-3-nitrobenzamide
CID 16957094
2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide
CID 1409338
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate
CID 1409522
2-[4-(4-methoxyphenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone
CID 51056440
6-chloro-2-(4-methylphenyl)-3-[2-(4-nitrophenyl)-2-oxoethoxy]chromen-4-one
CID 21000303
2-(4-methoxyphenyl)sulfonyl-1-(3-nitrophenyl)ethanone
CID 70940154
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid
CID 7742761
1-(3-methoxyphenyl)-2-(4-nitrophenoxy)ethanone
CID 898904
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 1409332
2-(2,3-dimethylphenoxy)-1-(3-nitrophenyl)ethanone
CID 43612405

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one (CID 1409433) is 2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one is COc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one?
The InChIKey is DLZSTWWFFSCIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO7/c1-15-11-16(2)24-21(12-15)23(29)26(25(34-24)17-7-9-20(32-3)10-8-17)33-14-22(28)18-5-4-6-19(13-18)27(30)31/h4-13H,14H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one?
2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one has a molecular weight of 459.45 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one is sourced from PubChem (CID 1409433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).