2-[(4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione

C15H10FNO4 — CID 16733532

IUPAC2-[(4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione
SMILESO=C1c2ccc(O)c(O)c2C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C15H10FNO4/c16-9-3-1-8(2-4-9)7-17-14(20)10-5-6-11(18)13(19)12(10)15(17)21/h1-6,18-19H,7H2
InChIKeyOWPKUVLPKUQQHW-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.03
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione

2-[(4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione (PubChem CID 16733532) has the molecular formula C15H10FNO4 and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione
PubChem CID16733532
Molecular FormulaC15H10FNO4
Molecular Weight287.25 g/mol
Exact Mass287.06
IUPAC Name2-[(4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione
SMILESO=C1c2ccc(O)c(O)c2C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C15H10FNO4/c16-9-3-1-8(2-4-9)7-17-14(20)10-5-6-11(18)13(19)12(10)15(17)21/h1-6,18-19H,7H2
InChIKeyOWPKUVLPKUQQHW-UHFFFAOYSA-N
XLogP2.03
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione (CID 16733532) is 2-[(4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione is O=C1c2ccc(O)c(O)c2C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione?
The InChIKey is OWPKUVLPKUQQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO4/c16-9-3-1-8(2-4-9)7-17-14(20)10-5-6-11(18)13(19)12(10)15(17)21/h1-6,18-19H,7H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione?
2-[(4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione has a molecular weight of 287.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione is sourced from PubChem (CID 16733532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).