5,6-difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione

C15H9F2NO3 — CID 114332799

IUPAC5,6-difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2cc(F)c(F)cc2C(=O)N1Cc1ccc(O)cc1
InChIInChI=1S/C15H9F2NO3/c16-12-5-10-11(6-13(12)17)15(21)18(14(10)20)7-8-1-3-9(19)4-2-8/h1-6,19H,7H2
InChIKeyBPYQLIMSIYLSCX-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.47
Rot. Bonds2

About 5,6-difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione

5,6-difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione (PubChem CID 114332799) has the molecular formula C15H9F2NO3 and a molecular weight of 289.24 g/mol. Its IUPAC name is 5,6-difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione
PubChem CID114332799
Molecular FormulaC15H9F2NO3
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name5,6-difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2cc(F)c(F)cc2C(=O)N1Cc1ccc(O)cc1
InChIInChI=1S/C15H9F2NO3/c16-12-5-10-11(6-13(12)17)15(21)18(14(10)20)7-8-1-3-9(19)4-2-8/h1-6,19H,7H2
InChIKeyBPYQLIMSIYLSCX-UHFFFAOYSA-N
XLogP2.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.47
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-(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-[(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
2-[(3,5-Difluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 25196925
2-[(2,5-Difluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 25196926

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 5,6-difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione (CID 114332799) is 5,6-difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 5,6-difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 5,6-difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione is O=C1c2cc(F)c(F)cc2C(=O)N1Cc1ccc(O)cc1.
What is the InChIKey of 5,6-difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione?
The InChIKey is BPYQLIMSIYLSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO3/c16-12-5-10-11(6-13(12)17)15(21)18(14(10)20)7-8-1-3-9(19)4-2-8/h1-6,19H,7H2.
What are the key properties of 5,6-difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione?
5,6-difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione has a molecular weight of 289.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 114332799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).