2-(3-nitrophenyl)-2,3-dihydrochromen-4-one

C15H11NO4 — CID 10084425

IUPAC2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc([N+](=O)[O-])c2)Oc2ccccc21
InChIInChI=1S/C15H11NO4/c17-13-9-15(20-14-7-2-1-6-12(13)14)10-4-3-5-11(8-10)16(18)19/h1-8,15H,9H2
InChIKeyHMHLDZDEZCGZRA-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.30
Rot. Bonds2

About 2-(3-nitrophenyl)-2,3-dihydrochromen-4-one

2-(3-nitrophenyl)-2,3-dihydrochromen-4-one (PubChem CID 10084425) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
PubChem CID10084425
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc([N+](=O)[O-])c2)Oc2ccccc21
InChIInChI=1S/C15H11NO4/c17-13-9-15(20-14-7-2-1-6-12(13)14)10-4-3-5-11(8-10)16(18)19/h1-8,15H,9H2
InChIKeyHMHLDZDEZCGZRA-UHFFFAOYSA-N
XLogP3.30
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.30
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

6-hydroxy-2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
CID 157444606
[3-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]boronic acid
CID 71504747
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one
CID 114671510
3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one
CID 102134787
6-hydroxy-2-(4-nitrophenyl)-2,3-dihydrochromen-4-one
CID 158863463
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
(2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one
CID 70503591
[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl] thiohypochlorite
CID 21276850
4-[(2R)-4-oxo-2,3-dihydrochromen-2-yl]benzonitrile
CID 25136970
2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one
CID 142675803
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one
CID 68519073

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3-nitrophenyl)-2,3-dihydrochromen-4-one (CID 10084425) is 2-(3-nitrophenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3-nitrophenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3-nitrophenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2cccc([N+](=O)[O-])c2)Oc2ccccc21.
What is the InChIKey of 2-(3-nitrophenyl)-2,3-dihydrochromen-4-one?
The InChIKey is HMHLDZDEZCGZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-13-9-15(20-14-7-2-1-6-12(13)14)10-4-3-5-11(8-10)16(18)19/h1-8,15H,9H2.
What are the key properties of 2-(3-nitrophenyl)-2,3-dihydrochromen-4-one?
2-(3-nitrophenyl)-2,3-dihydrochromen-4-one has a molecular weight of 269.26 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 10084425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).