5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methylfuran-2-one

C14H12O5 — CID 131752876

IUPAC5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methylfuran-2-one
SMILESCC1(O)OC(=O)C=C1C1=COc2cc(O)ccc2C1
InChIInChI=1S/C14H12O5/c1-14(17)11(6-13(16)19-14)9-4-8-2-3-10(15)5-12(8)18-7-9/h2-3,5-7,15,17H,4H2,1H3
InChIKeyAICICGKRUHSXCE-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.40
Rot. Bonds1

About 5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methylfuran-2-one

5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methylfuran-2-one (PubChem CID 131752876) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methylfuran-2-one.

Molecular Properties

Compound Name5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methylfuran-2-one
PubChem CID131752876
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methylfuran-2-one
SMILESCC1(O)OC(=O)C=C1C1=COc2cc(O)ccc2C1
InChIInChI=1S/C14H12O5/c1-14(17)11(6-13(16)19-14)9-4-8-2-3-10(15)5-12(8)18-7-9/h2-3,5-7,15,17H,4H2,1H3
InChIKeyAICICGKRUHSXCE-UHFFFAOYSA-N
XLogP1.40
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methylfuran-2-one?
The IUPAC name of 5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methylfuran-2-one (CID 131752876) is 5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methylfuran-2-one.
What is the SMILES notation for 5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methylfuran-2-one?
The canonical SMILES for 5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methylfuran-2-one is CC1(O)OC(=O)C=C1C1=COc2cc(O)ccc2C1.
What is the InChIKey of 5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methylfuran-2-one?
The InChIKey is AICICGKRUHSXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-14(17)11(6-13(16)19-14)9-4-8-2-3-10(15)5-12(8)18-7-9/h2-3,5-7,15,17H,4H2,1H3.
What are the key properties of 5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methylfuran-2-one?
5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methylfuran-2-one has a molecular weight of 260.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methylfuran-2-one is sourced from PubChem (CID 131752876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).