(3R)-4,6-dimethoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzofuran-1-one

C16H14O6 — CID 11659452

IUPAC(3R)-4,6-dimethoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzofuran-1-one
SMILESCOc1cc(OC)c2c(c1)C(=O)O[C@H]2c1coc(C)cc1=O
InChIInChI=1S/C16H14O6/c1-8-4-12(17)11(7-21-8)15-14-10(16(18)22-15)5-9(19-2)6-13(14)20-3/h4-7,15H,1-3H3/t15-/m0/s1
InChIKeyFKFNGBPZNWNWSG-HNNXBMFYSA-N
MW302.28 g/mol
LogP2.23
Rot. Bonds3

About (3R)-4,6-dimethoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzofuran-1-one

(3R)-4,6-dimethoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzofuran-1-one (PubChem CID 11659452) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is (3R)-4,6-dimethoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3R)-4,6-dimethoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzofuran-1-one
PubChem CID11659452
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name(3R)-4,6-dimethoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzofuran-1-one
SMILESCOc1cc(OC)c2c(c1)C(=O)O[C@H]2c1coc(C)cc1=O
InChIInChI=1S/C16H14O6/c1-8-4-12(17)11(7-21-8)15-14-10(16(18)22-15)5-9(19-2)6-13(14)20-3/h4-7,15H,1-3H3/t15-/m0/s1
InChIKeyFKFNGBPZNWNWSG-HNNXBMFYSA-N
XLogP2.23
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-4,6-dimethoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzofuran-1-one?
The IUPAC name of (3R)-4,6-dimethoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzofuran-1-one (CID 11659452) is (3R)-4,6-dimethoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzofuran-1-one.
What is the SMILES notation for (3R)-4,6-dimethoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzofuran-1-one?
The canonical SMILES for (3R)-4,6-dimethoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzofuran-1-one is COc1cc(OC)c2c(c1)C(=O)O[C@H]2c1coc(C)cc1=O.
What is the InChIKey of (3R)-4,6-dimethoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzofuran-1-one?
The InChIKey is FKFNGBPZNWNWSG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14O6/c1-8-4-12(17)11(7-21-8)15-14-10(16(18)22-15)5-9(19-2)6-13(14)20-3/h4-7,15H,1-3H3/t15-/m0/s1.
What are the key properties of (3R)-4,6-dimethoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzofuran-1-one?
(3R)-4,6-dimethoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzofuran-1-one has a molecular weight of 302.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,6-dimethoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 11659452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).