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

C28H24O6 — CID 15283095

IUPAC9-(furan-2-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one
SMILESO=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccco1
InChIInChI=1S/C28H24O6/c29-27-23-15-19-14-21(6-7-22(19)26(24(23)17-34-27)25-5-2-10-32-25)33-16-18-3-1-4-20(13-18)28(30)8-11-31-12-9-28/h1-7,10,13-15,30H,8-9,11-12,16-17H2
InChIKeyCRCFIDNCPBCMHP-UHFFFAOYSA-N
MW456.49 g/mol
LogP5.35
Rot. Bonds5

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

9-(furan-2-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one (PubChem CID 15283095) has the molecular formula C28H24O6 and a molecular weight of 456.49 g/mol. Its IUPAC name is 9-(furan-2-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name9-(furan-2-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one
PubChem CID15283095
Molecular FormulaC28H24O6
Molecular Weight456.49 g/mol
Exact Mass456.16
IUPAC Name9-(furan-2-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one
SMILESO=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccco1
InChIInChI=1S/C28H24O6/c29-27-23-15-19-14-21(6-7-22(19)26(24(23)17-34-27)25-5-2-10-32-25)33-16-18-3-1-4-20(13-18)28(30)8-11-31-12-9-28/h1-7,10,13-15,30H,8-9,11-12,16-17H2
InChIKeyCRCFIDNCPBCMHP-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

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Frequently Asked Questions

What is the IUPAC name of 9-(furan-2-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 9-(furan-2-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one (CID 15283095) is 9-(furan-2-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 9-(furan-2-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 9-(furan-2-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-c1ccco1.
What is the InChIKey of 9-(furan-2-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is CRCFIDNCPBCMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O6/c29-27-23-15-19-14-21(6-7-22(19)26(24(23)17-34-27)25-5-2-10-32-25)33-16-18-3-1-4-20(13-18)28(30)8-11-31-12-9-28/h1-7,10,13-15,30H,8-9,11-12,16-17H2.
What are the key properties of 9-(furan-2-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one?
9-(furan-2-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-2-yl)-6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 15283095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).