2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one

C17H12O4 — CID 131677098

IUPAC2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one
SMILESCC1C=Cc2c(ccc3c(=O)cc(-c4ccco4)oc23)O1
InChIInChI=1S/C17H12O4/c1-10-4-5-12-14(20-10)7-6-11-13(18)9-16(21-17(11)12)15-3-2-8-19-15/h2-10H,1H3
InChIKeyGIKWVIFLPCZVDM-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.85
Rot. Bonds1

About 2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one

2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one (PubChem CID 131677098) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one
PubChem CID131677098
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one
SMILESCC1C=Cc2c(ccc3c(=O)cc(-c4ccco4)oc23)O1
InChIInChI=1S/C17H12O4/c1-10-4-5-12-14(20-10)7-6-11-13(18)9-16(21-17(11)12)15-3-2-8-19-15/h2-10H,1H3
InChIKeyGIKWVIFLPCZVDM-UHFFFAOYSA-N
XLogP3.85
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one?
The IUPAC name of 2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one (CID 131677098) is 2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one.
What is the SMILES notation for 2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one?
The canonical SMILES for 2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one is CC1C=Cc2c(ccc3c(=O)cc(-c4ccco4)oc23)O1.
What is the InChIKey of 2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one?
The InChIKey is GIKWVIFLPCZVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c1-10-4-5-12-14(20-10)7-6-11-13(18)9-16(21-17(11)12)15-3-2-8-19-15/h2-10H,1H3.
What are the key properties of 2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one?
2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one has a molecular weight of 280.28 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one is sourced from PubChem (CID 131677098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).