3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one

C15H14O4 — CID 10729889

IUPAC3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one
SMILESCCc1ccc(C2OC(=O)c3ccc(OC)cc32)o1
InChIInChI=1S/C15H14O4/c1-3-9-5-7-13(18-9)14-12-8-10(17-2)4-6-11(12)15(16)19-14/h4-8,14H,3H2,1-2H3
InChIKeyLMUMDOPHVQNKTH-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.11
Rot. Bonds3

About 3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one

3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one (PubChem CID 10729889) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one
PubChem CID10729889
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one
SMILESCCc1ccc(C2OC(=O)c3ccc(OC)cc32)o1
InChIInChI=1S/C15H14O4/c1-3-9-5-7-13(18-9)14-12-8-10(17-2)4-6-11(12)15(16)19-14/h4-8,14H,3H2,1-2H3
InChIKeyLMUMDOPHVQNKTH-UHFFFAOYSA-N
XLogP3.11
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
CID 132915596
5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one
CID 11197902
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
2-ethyl-3,6-dimethoxynaphthalene-1,4-dione
CID 19873115
3-(2,5-dimethoxyphenyl)-4,5,6-trimethoxy-3H-2-benzofuran-1-one
CID 13448509
2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole
CID 69363330
(1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydronaphtho[1,2-b]oxiren-3-one
CID 129383938
(1S,8R,10R)-5,10-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-one
CID 15467590
7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one
CID 135033304
2-ethyl-7-methoxychromen-4-one
CID 10013150
4-hydroxy-6-methoxy-3-(3-oxo-1H-2-benzofuran-1-yl)chromen-2-one
CID 54748924
4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
CID 13260479

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one?
The IUPAC name of 3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one (CID 10729889) is 3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one is CCc1ccc(C2OC(=O)c3ccc(OC)cc32)o1.
What is the InChIKey of 3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one?
The InChIKey is LMUMDOPHVQNKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-3-9-5-7-13(18-9)14-12-8-10(17-2)4-6-11(12)15(16)19-14/h4-8,14H,3H2,1-2H3.
What are the key properties of 3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one?
3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one has a molecular weight of 258.27 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 10729889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).