5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one

C23H15NO7 — CID 23960319

IUPAC5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one
SMILESO=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H15NO7/c25-18-10-17(30-13-20(27)14-6-8-16(9-7-14)24(28)29)11-22-23(18)19(26)12-21(31-22)15-4-2-1-3-5-15/h1-12,25H,13H2
InChIKeyFUYUKDKFJIHGPF-UHFFFAOYSA-N
MW417.37 g/mol
LogP4.34
Rot. Bonds6

About 5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one

5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one (PubChem CID 23960319) has the molecular formula C23H15NO7 and a molecular weight of 417.37 g/mol. Its IUPAC name is 5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one
PubChem CID23960319
Molecular FormulaC23H15NO7
Molecular Weight417.37 g/mol
Exact Mass417.08
IUPAC Name5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one
SMILESO=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H15NO7/c25-18-10-17(30-13-20(27)14-6-8-16(9-7-14)24(28)29)11-22-23(18)19(26)12-21(31-22)15-4-2-1-3-5-15/h1-12,25H,13H2
InChIKeyFUYUKDKFJIHGPF-UHFFFAOYSA-N
XLogP4.34
TPSA119.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-bromobutyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
CID 53486698
(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxymethyl 5-nitrooxypentanoate
CID 46887221
7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915
7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
CID 6029612
1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid
CID 29147856
5-hydroxy-2-phenyl-7-(3-phenylprop-2-enoxy)chromen-4-one
CID 6802595
(2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
CID 6920592
7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one
CID 46898624
2-(3,5-dichlorophenoxy)-1-(4-nitrophenyl)ethanone
CID 60623975
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
CID 5397954

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one?
The IUPAC name of 5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one (CID 23960319) is 5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one?
The canonical SMILES for 5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one is O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one?
The InChIKey is FUYUKDKFJIHGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO7/c25-18-10-17(30-13-20(27)14-6-8-16(9-7-14)24(28)29)11-22-23(18)19(26)12-21(31-22)15-4-2-1-3-5-15/h1-12,25H,13H2.
What are the key properties of 5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one?
5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one has a molecular weight of 417.37 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 23960319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).