[7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite

C28H17IO4 — CID 134546870

IUPAC[7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite
SMILESO=C1OC(c2ccc3ccc(O)cc3c2)(c2ccc3ccc(OI)cc3c2)c2ccccc21
InChIInChI=1S/C28H17IO4/c29-33-24-12-8-18-6-10-22(14-20(18)16-24)28(26-4-2-1-3-25(26)27(31)32-28)21-9-5-17-7-11-23(30)15-19(17)13-21/h1-16,30H
InChIKeyMZKPFJYPGYJEEO-UHFFFAOYSA-N
MW544.34 g/mol
LogP6.89
Rot. Bonds3

About [7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite

[7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite (PubChem CID 134546870) has the molecular formula C28H17IO4 and a molecular weight of 544.34 g/mol. Its IUPAC name is [7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite.

Molecular Properties

Compound Name[7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite
PubChem CID134546870
Molecular FormulaC28H17IO4
Molecular Weight544.34 g/mol
Exact Mass544.02
IUPAC Name[7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite
SMILESO=C1OC(c2ccc3ccc(O)cc3c2)(c2ccc3ccc(OI)cc3c2)c2ccccc21
InChIInChI=1S/C28H17IO4/c29-33-24-12-8-18-6-10-22(14-20(18)16-24)28(26-4-2-1-3-25(26)27(31)32-28)21-9-5-17-7-11-23(30)15-19(17)13-21/h1-16,30H
InChIKeyMZKPFJYPGYJEEO-UHFFFAOYSA-N
XLogP6.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.34
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one
CID 59806850
3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one
CID 10920180
3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one
CID 54054786
3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 18364099
tetrasodium;tetrakis([[4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenoxy]-oxidophosphoryl] phosphate)
CID 18408206
cadmium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174867463
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
CID 14876464
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
ethane;3'-hydroxy-6'-[6-[9-(6-sulfanyloxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxysulfanyloxyspiro[2-benzofuran-3,9'-xanthene]-1-one;propane
CID 171538265
benzenesulfonic acid;3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
CID 19733526

Frequently Asked Questions

What is the IUPAC name of [7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite?
The IUPAC name of [7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite (CID 134546870) is [7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite.
What is the SMILES notation for [7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite?
The canonical SMILES for [7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite is O=C1OC(c2ccc3ccc(O)cc3c2)(c2ccc3ccc(OI)cc3c2)c2ccccc21.
What is the InChIKey of [7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite?
The InChIKey is MZKPFJYPGYJEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17IO4/c29-33-24-12-8-18-6-10-22(14-20(18)16-24)28(26-4-2-1-3-25(26)27(31)32-28)21-9-5-17-7-11-23(30)15-19(17)13-21/h1-16,30H.
What are the key properties of [7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite?
[7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite has a molecular weight of 544.34 g/mol, XLogP of 6.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[1-(7-hydroxynaphthalen-2-yl)-3-oxo-2-benzofuran-1-yl]naphthalen-2-yl] hypoiodite is sourced from PubChem (CID 134546870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).