3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one

C20H13FO3 — CID 15576583

IUPAC3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one
SMILESO=C1OC(c2ccccc2)(c2cc(F)ccc2O)c2ccccc21
InChIInChI=1S/C20H13FO3/c21-14-10-11-18(22)17(12-14)20(13-6-2-1-3-7-13)16-9-5-4-8-15(16)19(23)24-20/h1-12,22H
InChIKeyVQMZWHULWVGWEK-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.99
Rot. Bonds2

About 3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one

3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one (PubChem CID 15576583) has the molecular formula C20H13FO3 and a molecular weight of 320.32 g/mol. Its IUPAC name is 3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one
PubChem CID15576583
Molecular FormulaC20H13FO3
Molecular Weight320.32 g/mol
Exact Mass320.08
IUPAC Name3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one
SMILESO=C1OC(c2ccccc2)(c2cc(F)ccc2O)c2ccccc21
InChIInChI=1S/C20H13FO3/c21-14-10-11-18(22)17(12-14)20(13-6-2-1-3-7-13)16-9-5-4-8-15(16)19(23)24-20/h1-12,22H
InChIKeyVQMZWHULWVGWEK-UHFFFAOYSA-N
XLogP3.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one
CID 59806850
3,3-bis(4-hydroxy-2,3-dimethylphenyl)-2-benzofuran-1-one
CID 22946616
3-(3-(18F)fluoro-4-hydroxynaphthalen-1-yl)-3-(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
CID 71556089
3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one
CID 54054786
3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one
CID 10920180
benzenesulfonic acid;3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
CID 19733526
3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
CID 71339065
3-hydroxy-3-phenyl-2-benzofuran-1-one
CID 12677389
3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;nitrobenzene
CID 174889840
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;phenol
CID 70117084
3,3-bis[4-[(2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)oxy]phenyl]-2-benzofuran-1-one
CID 102434418
cadmium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174867463

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one?
The IUPAC name of 3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one (CID 15576583) is 3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one.
What is the SMILES notation for 3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one?
The canonical SMILES for 3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one is O=C1OC(c2ccccc2)(c2cc(F)ccc2O)c2ccccc21.
What is the InChIKey of 3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one?
The InChIKey is VQMZWHULWVGWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FO3/c21-14-10-11-18(22)17(12-14)20(13-6-2-1-3-7-13)16-9-5-4-8-15(16)19(23)24-20/h1-12,22H.
What are the key properties of 3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one?
3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one has a molecular weight of 320.32 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one is sourced from PubChem (CID 15576583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).