3-hydroxy-2-(3-nitrophenyl)inden-1-one

C15H9NO4 — CID 2729040

IUPAC3-hydroxy-2-(3-nitrophenyl)inden-1-one
SMILESO=C1C(c2cccc([N+](=O)[O-])c2)=C(O)c2ccccc21
InChIInChI=1S/C15H9NO4/c17-14-11-6-1-2-7-12(11)15(18)13(14)9-4-3-5-10(8-9)16(19)20/h1-8,17H
InChIKeyWPRHGCAYNVFJSN-UHFFFAOYSA-N
MW267.24 g/mol
LogP3.22
Rot. Bonds2

About 3-hydroxy-2-(3-nitrophenyl)inden-1-one

3-hydroxy-2-(3-nitrophenyl)inden-1-one (PubChem CID 2729040) has the molecular formula C15H9NO4 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-hydroxy-2-(3-nitrophenyl)inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(3-nitrophenyl)inden-1-one
PubChem CID2729040
Molecular FormulaC15H9NO4
Molecular Weight267.24 g/mol
Exact Mass267.05
IUPAC Name3-hydroxy-2-(3-nitrophenyl)inden-1-one
SMILESO=C1C(c2cccc([N+](=O)[O-])c2)=C(O)c2ccccc21
InChIInChI=1S/C15H9NO4/c17-14-11-6-1-2-7-12(11)15(18)13(14)9-4-3-5-10(8-9)16(19)20/h1-8,17H
InChIKeyWPRHGCAYNVFJSN-UHFFFAOYSA-N
XLogP3.22
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(3-nitrophenyl)inden-1-one?
The IUPAC name of 3-hydroxy-2-(3-nitrophenyl)inden-1-one (CID 2729040) is 3-hydroxy-2-(3-nitrophenyl)inden-1-one.
What is the SMILES notation for 3-hydroxy-2-(3-nitrophenyl)inden-1-one?
The canonical SMILES for 3-hydroxy-2-(3-nitrophenyl)inden-1-one is O=C1C(c2cccc([N+](=O)[O-])c2)=C(O)c2ccccc21.
What is the InChIKey of 3-hydroxy-2-(3-nitrophenyl)inden-1-one?
The InChIKey is WPRHGCAYNVFJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO4/c17-14-11-6-1-2-7-12(11)15(18)13(14)9-4-3-5-10(8-9)16(19)20/h1-8,17H.
What are the key properties of 3-hydroxy-2-(3-nitrophenyl)inden-1-one?
3-hydroxy-2-(3-nitrophenyl)inden-1-one has a molecular weight of 267.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(3-nitrophenyl)inden-1-one is sourced from PubChem (CID 2729040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).