4-(3-fluoro-5-hydroxyphenyl)-6-(3-fluorophenyl)-2,3-dihydroisoindol-1-one

C20H13F2NO2 — CID 164616941

IUPAC4-(3-fluoro-5-hydroxyphenyl)-6-(3-fluorophenyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cc(-c1cccc(F)c1)cc2-c1cc(O)cc(F)c1
InChIInChI=1S/C20H13F2NO2/c21-14-3-1-2-11(4-14)12-7-17(13-5-15(22)9-16(24)6-13)19-10-23-20(25)18(19)8-12/h1-9,24H,10H2,(H,23,25)
InChIKeyCSVQHWXGCOMKOM-UHFFFAOYSA-N
MW337.33 g/mol
LogP4.25
Rot. Bonds2

About 4-(3-fluoro-5-hydroxyphenyl)-6-(3-fluorophenyl)-2,3-dihydroisoindol-1-one

4-(3-fluoro-5-hydroxyphenyl)-6-(3-fluorophenyl)-2,3-dihydroisoindol-1-one (PubChem CID 164616941) has the molecular formula C20H13F2NO2 and a molecular weight of 337.33 g/mol. Its IUPAC name is 4-(3-fluoro-5-hydroxyphenyl)-6-(3-fluorophenyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-(3-fluoro-5-hydroxyphenyl)-6-(3-fluorophenyl)-2,3-dihydroisoindol-1-one
PubChem CID164616941
Molecular FormulaC20H13F2NO2
Molecular Weight337.33 g/mol
Exact Mass337.09
IUPAC Name4-(3-fluoro-5-hydroxyphenyl)-6-(3-fluorophenyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cc(-c1cccc(F)c1)cc2-c1cc(O)cc(F)c1
InChIInChI=1S/C20H13F2NO2/c21-14-3-1-2-11(4-14)12-7-17(13-5-15(22)9-16(24)6-13)19-10-23-20(25)18(19)8-12/h1-9,24H,10H2,(H,23,25)
InChIKeyCSVQHWXGCOMKOM-UHFFFAOYSA-N
XLogP4.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-hydroxyphenyl)-6-(3-fluorophenyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-(3-fluoro-5-hydroxyphenyl)-6-(3-fluorophenyl)-2,3-dihydroisoindol-1-one (CID 164616941) is 4-(3-fluoro-5-hydroxyphenyl)-6-(3-fluorophenyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-(3-fluoro-5-hydroxyphenyl)-6-(3-fluorophenyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-(3-fluoro-5-hydroxyphenyl)-6-(3-fluorophenyl)-2,3-dihydroisoindol-1-one is O=C1NCc2c1cc(-c1cccc(F)c1)cc2-c1cc(O)cc(F)c1.
What is the InChIKey of 4-(3-fluoro-5-hydroxyphenyl)-6-(3-fluorophenyl)-2,3-dihydroisoindol-1-one?
The InChIKey is CSVQHWXGCOMKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2NO2/c21-14-3-1-2-11(4-14)12-7-17(13-5-15(22)9-16(24)6-13)19-10-23-20(25)18(19)8-12/h1-9,24H,10H2,(H,23,25).
What are the key properties of 4-(3-fluoro-5-hydroxyphenyl)-6-(3-fluorophenyl)-2,3-dihydroisoindol-1-one?
4-(3-fluoro-5-hydroxyphenyl)-6-(3-fluorophenyl)-2,3-dihydroisoindol-1-one has a molecular weight of 337.33 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-hydroxyphenyl)-6-(3-fluorophenyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 164616941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).