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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Related Compounds

2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)-3-(4-hydroxyphenyl)propanoic acid
CID 233006
N-(4-methoxybenzyl)phthalimide
CID 519849
2-Tert-butyl-4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)phenol
CID 11955465
5-hydroxy-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 10702443
2-[4-[(1R,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butyl]isoindole-1,3-dione
CID 137642522
2-(5-Hydroxy-1,3-dihydro-isoindol-2-ylmethyl)-N-(4-phenyl-but-3-enyl)-benzamide
CID 10476003
1,3-Dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone
CID 11955466
2-[(4-Fluorophenyl)methyl]-6,7-dihydroxy-isoindolin-1-one
CID 16733372
2-[(4-Fluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 16733532
2-Benzyl-6,7-dihydroxy-isoindolin-1-one
CID 24773965
2-[(3-Fluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 24882340
2-[(3,4-Difluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 25196924

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).