3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one

C20H14O4 — CID 59806850

IUPAC3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one
SMILESO=C1OC(c2cccc(O)c2)(c2cccc(O)c2)c2ccccc21
InChIInChI=1S/C20H14O4/c21-15-7-3-5-13(11-15)20(14-6-4-8-16(22)12-14)18-10-2-1-9-17(18)19(23)24-20/h1-12,21-22H
InChIKeyPYHIXLGDOFYLLI-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.56
Rot. Bonds2

About 3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one

3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one (PubChem CID 59806850) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one
PubChem CID59806850
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one
SMILESO=C1OC(c2cccc(O)c2)(c2cccc(O)c2)c2ccccc21
InChIInChI=1S/C20H14O4/c21-15-7-3-5-13(11-15)20(14-6-4-8-16(22)12-14)18-10-2-1-9-17(18)19(23)24-20/h1-12,21-22H
InChIKeyPYHIXLGDOFYLLI-UHFFFAOYSA-N
XLogP3.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one
CID 138632201
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;phenol
CID 70117084
cadmium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174867463
5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione
CID 3089393
trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride
CID 173284967
3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol
CID 160841492
[7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite
CID 134546870
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N,N-dimethylmethanamine
CID 174621018
3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one
CID 54054786
3-(4-hydroxy-2,6-diiodophenyl)-3-(4-hydroxy-3,5-diiodophenyl)-2-benzofuran-1-one
CID 71720517
3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethane;methane;propane
CID 164984013
acetic acid;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2734982

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one?
The IUPAC name of 3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one (CID 59806850) is 3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one.
What is the SMILES notation for 3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one?
The canonical SMILES for 3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one is O=C1OC(c2cccc(O)c2)(c2cccc(O)c2)c2ccccc21.
What is the InChIKey of 3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one?
The InChIKey is PYHIXLGDOFYLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c21-15-7-3-5-13(11-15)20(14-6-4-8-16(22)12-14)18-10-2-1-9-17(18)19(23)24-20/h1-12,21-22H.
What are the key properties of 3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one?
3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one has a molecular weight of 318.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one is sourced from PubChem (CID 59806850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).