3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol

C32H22O8 — CID 160841492

IUPAC3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol
SMILESO=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21.Oc1ccc2c(c1)Oc1cccc(O)c1O2
InChIInChI=1S/C20H14O4.C12H8O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20;13-7-4-5-9-11(6-7)15-10-3-1-2-8(14)12(10)16-9/h1-12,21-22H;1-6,13-14H
InChIKeySICBHOJEFCAOKF-UHFFFAOYSA-N
MW534.52 g/mol
LogP6.56
Rot. Bonds2

About 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol

3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol (PubChem CID 160841492) has the molecular formula C32H22O8 and a molecular weight of 534.52 g/mol. Its IUPAC name is 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol.

Molecular Properties

Compound Name3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol
PubChem CID160841492
Molecular FormulaC32H22O8
Molecular Weight534.52 g/mol
Exact Mass534.13
IUPAC Name3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol
SMILESO=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21.Oc1ccc2c(c1)Oc1cccc(O)c1O2
InChIInChI=1S/C20H14O4.C12H8O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20;13-7-4-5-9-11(6-7)15-10-3-1-2-8(14)12(10)16-9/h1-12,21-22H;1-6,13-14H
InChIKeySICBHOJEFCAOKF-UHFFFAOYSA-N
XLogP6.56
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.52
LogP ≤ 56.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethane;methane;propane
CID 164984013
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
trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride
CID 173284967
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N,N-dimethylmethanamine
CID 174621018
3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one
CID 59806850
acetic acid;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2734982
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol
CID 66716560
amino dihydrogen phosphite;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174660209
3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one
CID 54054786
3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carboxylic acid
CID 14647123
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;diphenylmethanone
CID 68707787

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol?
The IUPAC name of 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol (CID 160841492) is 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol.
What is the SMILES notation for 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol?
The canonical SMILES for 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol is O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21.Oc1ccc2c(c1)Oc1cccc(O)c1O2.
What is the InChIKey of 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol?
The InChIKey is SICBHOJEFCAOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4.C12H8O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20;13-7-4-5-9-11(6-7)15-10-3-1-2-8(14)12(10)16-9/h1-12,21-22H;1-6,13-14H.
What are the key properties of 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol?
3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol has a molecular weight of 534.52 g/mol, XLogP of 6.56, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;dibenzo-p-dioxin-1,7-diol is sourced from PubChem (CID 160841492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).