3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one

C32H22O4 — CID 10920180

IUPAC3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one
SMILESO=C1OC(c2ccc(Oc3ccccc3)cc2)(c2ccc(Oc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C32H22O4/c33-31-29-13-7-8-14-30(29)32(36-31,23-15-19-27(20-16-23)34-25-9-3-1-4-10-25)24-17-21-28(22-18-24)35-26-11-5-2-6-12-26/h1-22H
InChIKeyJAFDJXXBPXZYHQ-UHFFFAOYSA-N
MW470.52 g/mol
LogP7.73
Rot. Bonds6

About 3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one

3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one (PubChem CID 10920180) has the molecular formula C32H22O4 and a molecular weight of 470.52 g/mol. Its IUPAC name is 3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one
PubChem CID10920180
Molecular FormulaC32H22O4
Molecular Weight470.52 g/mol
Exact Mass470.15
IUPAC Name3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one
SMILESO=C1OC(c2ccc(Oc3ccccc3)cc2)(c2ccc(Oc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C32H22O4/c33-31-29-13-7-8-14-30(29)32(36-31,23-15-19-27(20-16-23)34-25-9-3-1-4-10-25)24-17-21-28(22-18-24)35-26-11-5-2-6-12-26/h1-22H
InChIKeyJAFDJXXBPXZYHQ-UHFFFAOYSA-N
XLogP7.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.52
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
[4-[1-[4-(2-methylbenzoyl)oxyphenyl]-3-oxo-2-benzofuran-1-yl]phenyl] 2-methylbenzoate
CID 3272719
5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione
CID 3089393
benzenesulfonic acid;3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
CID 19733526
tetrasodium;tetrakis([[4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenoxy]-oxidophosphoryl] phosphate)
CID 18408206
benzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene
CID 159859551
1-[4-[4-[1-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-3-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-methylphenoxy]phenyl]pyrrole-2,5-dione
CID 102417166
3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one
CID 54054786
3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;nitrobenzene
CID 174889840
3,3-diphenylfuro[3,4-c]pyridin-1-one
CID 12671386
3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one
CID 59806850
[7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite
CID 134546870

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one?
The IUPAC name of 3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one (CID 10920180) is 3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one.
What is the SMILES notation for 3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one?
The canonical SMILES for 3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one is O=C1OC(c2ccc(Oc3ccccc3)cc2)(c2ccc(Oc3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one?
The InChIKey is JAFDJXXBPXZYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O4/c33-31-29-13-7-8-14-30(29)32(36-31,23-15-19-27(20-16-23)34-25-9-3-1-4-10-25)24-17-21-28(22-18-24)35-26-11-5-2-6-12-26/h1-22H.
What are the key properties of 3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one?
3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one has a molecular weight of 470.52 g/mol, XLogP of 7.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one is sourced from PubChem (CID 10920180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).