2-(2,4-dimethoxyphenyl)-2-(3-methylfuran-2-yl)-1-benzofuran-3-one

C21H18O5 — CID 102195913

IUPAC2-(2,4-dimethoxyphenyl)-2-(3-methylfuran-2-yl)-1-benzofuran-3-one
SMILESCOc1ccc(C2(c3occc3C)Oc3ccccc3C2=O)c(OC)c1
InChIInChI=1S/C21H18O5/c1-13-10-11-25-20(13)21(16-9-8-14(23-2)12-18(16)24-3)19(22)15-6-4-5-7-17(15)26-21/h4-12H,1-3H3
InChIKeyIQSYYELUCPGNRY-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.12
Rot. Bonds4

About 2-(2,4-dimethoxyphenyl)-2-(3-methylfuran-2-yl)-1-benzofuran-3-one

2-(2,4-dimethoxyphenyl)-2-(3-methylfuran-2-yl)-1-benzofuran-3-one (PubChem CID 102195913) has the molecular formula C21H18O5 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-2-(3-methylfuran-2-yl)-1-benzofuran-3-one.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-2-(3-methylfuran-2-yl)-1-benzofuran-3-one
PubChem CID102195913
Molecular FormulaC21H18O5
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Name2-(2,4-dimethoxyphenyl)-2-(3-methylfuran-2-yl)-1-benzofuran-3-one
SMILESCOc1ccc(C2(c3occc3C)Oc3ccccc3C2=O)c(OC)c1
InChIInChI=1S/C21H18O5/c1-13-10-11-25-20(13)21(16-9-8-14(23-2)12-18(16)24-3)19(22)15-6-4-5-7-17(15)26-21/h4-12H,1-3H3
InChIKeyIQSYYELUCPGNRY-UHFFFAOYSA-N
XLogP4.12
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-2-(3-methylfuran-2-yl)-1-benzofuran-3-one?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-2-(3-methylfuran-2-yl)-1-benzofuran-3-one (CID 102195913) is 2-(2,4-dimethoxyphenyl)-2-(3-methylfuran-2-yl)-1-benzofuran-3-one.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-2-(3-methylfuran-2-yl)-1-benzofuran-3-one?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-2-(3-methylfuran-2-yl)-1-benzofuran-3-one is COc1ccc(C2(c3occc3C)Oc3ccccc3C2=O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-2-(3-methylfuran-2-yl)-1-benzofuran-3-one?
The InChIKey is IQSYYELUCPGNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O5/c1-13-10-11-25-20(13)21(16-9-8-14(23-2)12-18(16)24-3)19(22)15-6-4-5-7-17(15)26-21/h4-12H,1-3H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-2-(3-methylfuran-2-yl)-1-benzofuran-3-one?
2-(2,4-dimethoxyphenyl)-2-(3-methylfuran-2-yl)-1-benzofuran-3-one has a molecular weight of 350.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-2-(3-methylfuran-2-yl)-1-benzofuran-3-one is sourced from PubChem (CID 102195913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).