3-(2-fluorophenyl)-4-hydroxynaphthalene-1,2-dione

C16H9FO3 — CID 748128

IUPAC3-(2-fluorophenyl)-4-hydroxynaphthalene-1,2-dione
SMILESO=C1C(=O)c2ccccc2C(O)=C1c1ccccc1F
InChIInChI=1S/C16H9FO3/c17-12-8-4-3-7-11(12)13-14(18)9-5-1-2-6-10(9)15(19)16(13)20/h1-8,18H
InChIKeyYZJONONENOKUIB-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.02
Rot. Bonds1

About 3-(2-fluorophenyl)-4-hydroxynaphthalene-1,2-dione

3-(2-fluorophenyl)-4-hydroxynaphthalene-1,2-dione (PubChem CID 748128) has the molecular formula C16H9FO3 and a molecular weight of 268.24 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-hydroxynaphthalene-1,2-dione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-hydroxynaphthalene-1,2-dione
PubChem CID748128
Molecular FormulaC16H9FO3
Molecular Weight268.24 g/mol
Exact Mass268.05
IUPAC Name3-(2-fluorophenyl)-4-hydroxynaphthalene-1,2-dione
SMILESO=C1C(=O)c2ccccc2C(O)=C1c1ccccc1F
InChIInChI=1S/C16H9FO3/c17-12-8-4-3-7-11(12)13-14(18)9-5-1-2-6-10(9)15(19)16(13)20/h1-8,18H
InChIKeyYZJONONENOKUIB-UHFFFAOYSA-N
XLogP3.02
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-hydroxynaphthalene-1,2-dione?
The IUPAC name of 3-(2-fluorophenyl)-4-hydroxynaphthalene-1,2-dione (CID 748128) is 3-(2-fluorophenyl)-4-hydroxynaphthalene-1,2-dione.
What is the SMILES notation for 3-(2-fluorophenyl)-4-hydroxynaphthalene-1,2-dione?
The canonical SMILES for 3-(2-fluorophenyl)-4-hydroxynaphthalene-1,2-dione is O=C1C(=O)c2ccccc2C(O)=C1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-4-hydroxynaphthalene-1,2-dione?
The InChIKey is YZJONONENOKUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FO3/c17-12-8-4-3-7-11(12)13-14(18)9-5-1-2-6-10(9)15(19)16(13)20/h1-8,18H.
What are the key properties of 3-(2-fluorophenyl)-4-hydroxynaphthalene-1,2-dione?
3-(2-fluorophenyl)-4-hydroxynaphthalene-1,2-dione has a molecular weight of 268.24 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-hydroxynaphthalene-1,2-dione is sourced from PubChem (CID 748128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).