2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one

C21H16FNO3 — CID 59981204

IUPAC2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one
SMILESO=C1c2cc(O)ccc2C(Cc2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C21H16FNO3/c22-14-3-5-15(6-4-14)23-20(11-13-1-7-16(24)8-2-13)18-10-9-17(25)12-19(18)21(23)26/h1-10,12,20,24-25H,11H2
InChIKeyHJOYISIODAECLV-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.18
Rot. Bonds3

About 2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one

2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one (PubChem CID 59981204) has the molecular formula C21H16FNO3 and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one
PubChem CID59981204
Molecular FormulaC21H16FNO3
Molecular Weight349.36 g/mol
Exact Mass349.11
IUPAC Name2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one
SMILESO=C1c2cc(O)ccc2C(Cc2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C21H16FNO3/c22-14-3-5-15(6-4-14)23-20(11-13-1-7-16(24)8-2-13)18-10-9-17(25)12-19(18)21(23)26/h1-10,12,20,24-25H,11H2
InChIKeyHJOYISIODAECLV-UHFFFAOYSA-N
XLogP4.18
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one?
The IUPAC name of 2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one (CID 59981204) is 2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one is O=C1c2cc(O)ccc2C(Cc2ccc(O)cc2)N1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one?
The InChIKey is HJOYISIODAECLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO3/c22-14-3-5-15(6-4-14)23-20(11-13-1-7-16(24)8-2-13)18-10-9-17(25)12-19(18)21(23)26/h1-10,12,20,24-25H,11H2.
What are the key properties of 2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one?
2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one has a molecular weight of 349.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one is sourced from PubChem (CID 59981204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).