4-(4-fluorophenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione

C19H11FO4 — CID 5301368

IUPAC4-(4-fluorophenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione
SMILESO=C1CC(c2ccc(F)cc2)C2=C(O1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H11FO4/c20-11-7-5-10(6-8-11)14-9-15(21)24-19-16(14)17(22)12-3-1-2-4-13(12)18(19)23/h1-8,14H,9H2
InChIKeyBQTGBFUDRPJUOL-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.19
Rot. Bonds1

About 4-(4-fluorophenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione

4-(4-fluorophenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione (PubChem CID 5301368) has the molecular formula C19H11FO4 and a molecular weight of 322.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione
PubChem CID5301368
Molecular FormulaC19H11FO4
Molecular Weight322.29 g/mol
Exact Mass322.06
IUPAC Name4-(4-fluorophenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione
SMILESO=C1CC(c2ccc(F)cc2)C2=C(O1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H11FO4/c20-11-7-5-10(6-8-11)14-9-15(21)24-19-16(14)17(22)12-3-1-2-4-13(12)18(19)23/h1-8,14H,9H2
InChIKeyBQTGBFUDRPJUOL-UHFFFAOYSA-N
XLogP3.19
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione?
The IUPAC name of 4-(4-fluorophenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione (CID 5301368) is 4-(4-fluorophenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione.
What is the SMILES notation for 4-(4-fluorophenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione?
The canonical SMILES for 4-(4-fluorophenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione is O=C1CC(c2ccc(F)cc2)C2=C(O1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 4-(4-fluorophenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione?
The InChIKey is BQTGBFUDRPJUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FO4/c20-11-7-5-10(6-8-11)14-9-15(21)24-19-16(14)17(22)12-3-1-2-4-13(12)18(19)23/h1-8,14H,9H2.
What are the key properties of 4-(4-fluorophenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione?
4-(4-fluorophenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione has a molecular weight of 322.29 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione is sourced from PubChem (CID 5301368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).