3-(4-fluorophenyl)-1H-benzo[g]isochromene-5,10-dione

C19H11FO3 — CID 100933544

IUPAC3-(4-fluorophenyl)-1H-benzo[g]isochromene-5,10-dione
SMILESO=C1C2=C(COC(c3ccc(F)cc3)=C2)C(=O)c2ccccc21
InChIInChI=1S/C19H11FO3/c20-12-7-5-11(6-8-12)17-9-15-16(10-23-17)19(22)14-4-2-1-3-13(14)18(15)21/h1-9H,10H2
InChIKeyBYIKAIZXSUZKON-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.57
Rot. Bonds1

About 3-(4-fluorophenyl)-1H-benzo[g]isochromene-5,10-dione

3-(4-fluorophenyl)-1H-benzo[g]isochromene-5,10-dione (PubChem CID 100933544) has the molecular formula C19H11FO3 and a molecular weight of 306.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1H-benzo[g]isochromene-5,10-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1H-benzo[g]isochromene-5,10-dione
PubChem CID100933544
Molecular FormulaC19H11FO3
Molecular Weight306.29 g/mol
Exact Mass306.07
IUPAC Name3-(4-fluorophenyl)-1H-benzo[g]isochromene-5,10-dione
SMILESO=C1C2=C(COC(c3ccc(F)cc3)=C2)C(=O)c2ccccc21
InChIInChI=1S/C19H11FO3/c20-12-7-5-11(6-8-12)17-9-15-16(10-23-17)19(22)14-4-2-1-3-13(14)18(15)21/h1-9H,10H2
InChIKeyBYIKAIZXSUZKON-UHFFFAOYSA-N
XLogP3.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Ethoxynaphthalene-1,2-dione
CID 343759
3-Phenyl-1H-2-benzopyran-1-one
CID 334102
Ethyl 2-benzoylbenzoate
CID 221768
3,4-Diphenylisochromen-1-one
CID 244746
2-Phenyl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
CID 15743021
Ethyl 3-(4-fluorobenzyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate
CID 755636
2-methyl-2-phenyl-3,4-dihydro-2H-benzo(h)chromene-5,6-dione
CID 11722562
3,4-dihydro-2H-benzo[h]chromene-5,6-dione
CID 14710437
4-Allyloxy-[1,2]naphthoquinone
CID 315458
Betulinan B
CID 3050396
3-methyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
CID 11253170
2-(1-Oxoisochromen-3-yl)ethyl 2-(trifluoromethyl)benzoate
CID 44142619

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1H-benzo[g]isochromene-5,10-dione?
The IUPAC name of 3-(4-fluorophenyl)-1H-benzo[g]isochromene-5,10-dione (CID 100933544) is 3-(4-fluorophenyl)-1H-benzo[g]isochromene-5,10-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1H-benzo[g]isochromene-5,10-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1H-benzo[g]isochromene-5,10-dione is O=C1C2=C(COC(c3ccc(F)cc3)=C2)C(=O)c2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-1H-benzo[g]isochromene-5,10-dione?
The InChIKey is BYIKAIZXSUZKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FO3/c20-12-7-5-11(6-8-12)17-9-15-16(10-23-17)19(22)14-4-2-1-3-13(14)18(15)21/h1-9H,10H2.
What are the key properties of 3-(4-fluorophenyl)-1H-benzo[g]isochromene-5,10-dione?
3-(4-fluorophenyl)-1H-benzo[g]isochromene-5,10-dione has a molecular weight of 306.29 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1H-benzo[g]isochromene-5,10-dione is sourced from PubChem (CID 100933544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).