ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one

C15H16O5 — CID 143290576

IUPACethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
SMILESCC.COc1c2occc2c(O)c2c(=O)cc(C)oc12
InChIInChI=1S/C13H10O5.C2H6/c1-6-5-8(14)9-10(15)7-3-4-17-11(7)13(16-2)12(9)18-6;1-2/h3-5,15H,1-2H3;1-2H3
InChIKeyIJSFMSPMMJRBPL-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.59
Rot. Bonds1

About ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one

ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one (PubChem CID 143290576) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Nameethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
PubChem CID143290576
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Nameethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
SMILESCC.COc1c2occc2c(O)c2c(=O)cc(C)oc12
InChIInChI=1S/C13H10O5.C2H6/c1-6-5-8(14)9-10(15)7-3-4-17-11(7)13(16-2)12(9)18-6;1-2/h3-5,15H,1-2H3;1-2H3
InChIKeyIJSFMSPMMJRBPL-UHFFFAOYSA-N
XLogP3.59
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one?
The IUPAC name of ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one (CID 143290576) is ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one.
What is the SMILES notation for ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one?
The canonical SMILES for ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one is CC.COc1c2occc2c(O)c2c(=O)cc(C)oc12.
What is the InChIKey of ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one?
The InChIKey is IJSFMSPMMJRBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O5.C2H6/c1-6-5-8(14)9-10(15)7-3-4-17-11(7)13(16-2)12(9)18-6;1-2/h3-5,15H,1-2H3;1-2H3.
What are the key properties of ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one?
ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one has a molecular weight of 276.29 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one is sourced from PubChem (CID 143290576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).