7-methyl-3-(2-nitrophenyl)chromen-4-one

C16H11NO4 — CID 11289009

IUPAC7-methyl-3-(2-nitrophenyl)chromen-4-one
SMILESCc1ccc2c(=O)c(-c3ccccc3[N+](=O)[O-])coc2c1
InChIInChI=1S/C16H11NO4/c1-10-6-7-12-15(8-10)21-9-13(16(12)18)11-4-2-3-5-14(11)17(19)20/h2-9H,1H3
InChIKeyFYCZTIPSMVRISV-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.68
Rot. Bonds2

About 7-methyl-3-(2-nitrophenyl)chromen-4-one

7-methyl-3-(2-nitrophenyl)chromen-4-one (PubChem CID 11289009) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 7-methyl-3-(2-nitrophenyl)chromen-4-one.

Molecular Properties

Compound Name7-methyl-3-(2-nitrophenyl)chromen-4-one
PubChem CID11289009
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC Name7-methyl-3-(2-nitrophenyl)chromen-4-one
SMILESCc1ccc2c(=O)c(-c3ccccc3[N+](=O)[O-])coc2c1
InChIInChI=1S/C16H11NO4/c1-10-6-7-12-15(8-10)21-9-13(16(12)18)11-4-2-3-5-14(11)17(19)20/h2-9H,1H3
InChIKeyFYCZTIPSMVRISV-UHFFFAOYSA-N
XLogP3.68
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-hydroxy-3,7-bis(2-nitrophenyl)pyrano[3,2-g]chromene-4,6-dione
CID 127050398
3-(4-methoxy-2-nitrophenyl)chromen-4-one
CID 122463872
3-[hydroxy-(2-nitrophenyl)methyl]-6-methylchromen-4-one
CID 11197695
[3-(2-methoxyphenyl)-4-oxochromen-7-yl] 2-methyl-3-nitrobenzoate
CID 23937048
N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide
CID 46399107
7-methyl-3-[2-(4-nitrophenyl)ethenyl]chromen-4-one
CID 71966385
(4-oxo-3-phenylchromen-7-yl) 4-methyl-3-nitrobenzenesulfonate
CID 55509201
7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one
CID 134045192
3-methyl-6-nitrodibenzofuran
CID 129136915
3-(2-chloro-5-methylphenyl)chromen-4-one
CID 141334254
1-(3-methylphenyl)-2-nitrobenzene
CID 12592509
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-nitrophenyl)chromen-4-one?
The IUPAC name of 7-methyl-3-(2-nitrophenyl)chromen-4-one (CID 11289009) is 7-methyl-3-(2-nitrophenyl)chromen-4-one.
What is the SMILES notation for 7-methyl-3-(2-nitrophenyl)chromen-4-one?
The canonical SMILES for 7-methyl-3-(2-nitrophenyl)chromen-4-one is Cc1ccc2c(=O)c(-c3ccccc3[N+](=O)[O-])coc2c1.
What is the InChIKey of 7-methyl-3-(2-nitrophenyl)chromen-4-one?
The InChIKey is FYCZTIPSMVRISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4/c1-10-6-7-12-15(8-10)21-9-13(16(12)18)11-4-2-3-5-14(11)17(19)20/h2-9H,1H3.
What are the key properties of 7-methyl-3-(2-nitrophenyl)chromen-4-one?
7-methyl-3-(2-nitrophenyl)chromen-4-one has a molecular weight of 281.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-nitrophenyl)chromen-4-one is sourced from PubChem (CID 11289009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).