2-[(3-fluoro-4-hydroxy-2-methylphenyl)methyl]isoindole-1,3-dione

C16H12FNO3 — CID 90992721

IUPAC2-[(3-fluoro-4-hydroxy-2-methylphenyl)methyl]isoindole-1,3-dione
SMILESCc1c(CN2C(=O)c3ccccc3C2=O)ccc(O)c1F
InChIInChI=1S/C16H12FNO3/c1-9-10(6-7-13(19)14(9)17)8-18-15(20)11-4-2-3-5-12(11)16(18)21/h2-7,19H,8H2,1H3
InChIKeyUNSYGYPNLZZWSM-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.64
Rot. Bonds2

About 2-[(3-fluoro-4-hydroxy-2-methylphenyl)methyl]isoindole-1,3-dione

2-[(3-fluoro-4-hydroxy-2-methylphenyl)methyl]isoindole-1,3-dione (PubChem CID 90992721) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[(3-fluoro-4-hydroxy-2-methylphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-fluoro-4-hydroxy-2-methylphenyl)methyl]isoindole-1,3-dione
PubChem CID90992721
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name2-[(3-fluoro-4-hydroxy-2-methylphenyl)methyl]isoindole-1,3-dione
SMILESCc1c(CN2C(=O)c3ccccc3C2=O)ccc(O)c1F
InChIInChI=1S/C16H12FNO3/c1-9-10(6-7-13(19)14(9)17)8-18-15(20)11-4-2-3-5-12(11)16(18)21/h2-7,19H,8H2,1H3
InChIKeyUNSYGYPNLZZWSM-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-hydroxy-2-methylphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3-fluoro-4-hydroxy-2-methylphenyl)methyl]isoindole-1,3-dione (CID 90992721) is 2-[(3-fluoro-4-hydroxy-2-methylphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-fluoro-4-hydroxy-2-methylphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-fluoro-4-hydroxy-2-methylphenyl)methyl]isoindole-1,3-dione is Cc1c(CN2C(=O)c3ccccc3C2=O)ccc(O)c1F.
What is the InChIKey of 2-[(3-fluoro-4-hydroxy-2-methylphenyl)methyl]isoindole-1,3-dione?
The InChIKey is UNSYGYPNLZZWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c1-9-10(6-7-13(19)14(9)17)8-18-15(20)11-4-2-3-5-12(11)16(18)21/h2-7,19H,8H2,1H3.
What are the key properties of 2-[(3-fluoro-4-hydroxy-2-methylphenyl)methyl]isoindole-1,3-dione?
2-[(3-fluoro-4-hydroxy-2-methylphenyl)methyl]isoindole-1,3-dione has a molecular weight of 285.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-hydroxy-2-methylphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 90992721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).