9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one

C28H24O6 — CID 15283092

IUPAC9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one
SMILESO=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccoc1
InChIInChI=1S/C28H24O6/c29-27-24-14-20-13-22(4-5-23(20)26(25(24)17-34-27)19-6-9-32-16-19)33-15-18-2-1-3-21(12-18)28(30)7-10-31-11-8-28/h1-6,9,12-14,16,30H,7-8,10-11,15,17H2
InChIKeySMYJOFADEABNJG-UHFFFAOYSA-N
MW456.49 g/mol
LogP5.35
Rot. Bonds5

About 9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one

9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one (PubChem CID 15283092) has the molecular formula C28H24O6 and a molecular weight of 456.49 g/mol. Its IUPAC name is 9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one
PubChem CID15283092
Molecular FormulaC28H24O6
Molecular Weight456.49 g/mol
Exact Mass456.16
IUPAC Name9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one
SMILESO=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccoc1
InChIInChI=1S/C28H24O6/c29-27-24-14-20-13-22(4-5-23(20)26(25(24)17-34-27)19-6-9-32-16-19)33-15-18-2-1-3-21(12-18)28(30)7-10-31-11-8-28/h1-6,9,12-14,16,30H,7-8,10-11,15,17H2
InChIKeySMYJOFADEABNJG-UHFFFAOYSA-N
XLogP5.35
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one with MolForge

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Related Compounds

6-Carboxyfluorescein
CID 76806
3,3-Bis(4-hydroxyphenyl)benzo[g]isobenzofuran-1-one
CID 16086911
4-(Furan-3-yl)-7-[[3-(3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl)phenyl]methoxy]naphthalene-2-carbonitrile
CID 44329500
Caesaldekarine
CID 10597887
5-Fam
CID 123755
5-Carboxyfluorescein Diacetate
CID 133314
2-(11-Hydroxy-3-oxo-3H-dibenzo(c,h)xanthen-7-yl)benzoic acid
CID 103891
Naphthofluorescein
CID 3124834
1,1-Bis(4-hydroxyphenyl)benzo[e]isobenzofuran-3-one
CID 16086910
7-[3-(4-Methoxy-tetrahydro-pyran-4-yl)-phenoxymethyl]-4-phenyl-3H-naphtho[2,3-c]furan-1-one
CID 9982617
{4-Furan-3-yl-7-[3-(4-hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-naphthalen-2-yl}-phenyl-methanone
CID 44351793
2-Acetoxy-3-deacetoxycaesaldekarin E
CID 44583993

Frequently Asked Questions

What is the IUPAC name of 9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one (CID 15283092) is 9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one is O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccoc1.
What is the InChIKey of 9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is SMYJOFADEABNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O6/c29-27-24-14-20-13-22(4-5-23(20)26(25(24)17-34-27)19-6-9-32-16-19)33-15-18-2-1-3-21(12-18)28(30)7-10-31-11-8-28/h1-6,9,12-14,16,30H,7-8,10-11,15,17H2.
What are the key properties of 9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one?
9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 456.49 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-3-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 15283092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).