2-(3-nitrophenyl)benzo[h]chromen-4-one

C19H11NO4 — CID 11232354

IUPAC2-(3-nitrophenyl)benzo[h]chromen-4-one
SMILESO=c1cc(-c2cccc([N+](=O)[O-])c2)oc2c1ccc1ccccc12
InChIInChI=1S/C19H11NO4/c21-17-11-18(13-5-3-6-14(10-13)20(22)23)24-19-15-7-2-1-4-12(15)8-9-16(17)19/h1-11H
InChIKeyILQARUHJCJMWHR-UHFFFAOYSA-N
MW317.30 g/mol
LogP4.52
Rot. Bonds2

About 2-(3-nitrophenyl)benzo[h]chromen-4-one

2-(3-nitrophenyl)benzo[h]chromen-4-one (PubChem CID 11232354) has the molecular formula C19H11NO4 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-(3-nitrophenyl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(3-nitrophenyl)benzo[h]chromen-4-one
PubChem CID11232354
Molecular FormulaC19H11NO4
Molecular Weight317.30 g/mol
Exact Mass317.07
IUPAC Name2-(3-nitrophenyl)benzo[h]chromen-4-one
SMILESO=c1cc(-c2cccc([N+](=O)[O-])c2)oc2c1ccc1ccccc12
InChIInChI=1S/C19H11NO4/c21-17-11-18(13-5-3-6-14(10-13)20(22)23)24-19-15-7-2-1-4-12(15)8-9-16(17)19/h1-11H
InChIKeyILQARUHJCJMWHR-UHFFFAOYSA-N
XLogP4.52
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 54.52
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)benzo[h]chromen-4-one?
The IUPAC name of 2-(3-nitrophenyl)benzo[h]chromen-4-one (CID 11232354) is 2-(3-nitrophenyl)benzo[h]chromen-4-one.
What is the SMILES notation for 2-(3-nitrophenyl)benzo[h]chromen-4-one?
The canonical SMILES for 2-(3-nitrophenyl)benzo[h]chromen-4-one is O=c1cc(-c2cccc([N+](=O)[O-])c2)oc2c1ccc1ccccc12.
What is the InChIKey of 2-(3-nitrophenyl)benzo[h]chromen-4-one?
The InChIKey is ILQARUHJCJMWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO4/c21-17-11-18(13-5-3-6-14(10-13)20(22)23)24-19-15-7-2-1-4-12(15)8-9-16(17)19/h1-11H.
What are the key properties of 2-(3-nitrophenyl)benzo[h]chromen-4-one?
2-(3-nitrophenyl)benzo[h]chromen-4-one has a molecular weight of 317.30 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)benzo[h]chromen-4-one is sourced from PubChem (CID 11232354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).