(2,5-dimethoxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone

C17H14O5 — CID 626866

IUPAC(2,5-dimethoxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2coc3ccc(O)cc23)c1
InChIInChI=1S/C17H14O5/c1-20-11-4-6-15(21-2)13(8-11)17(19)14-9-22-16-5-3-10(18)7-12(14)16/h3-9,18H,1-2H3
InChIKeyZZXSSXYHBWCWGF-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.39
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone

(2,5-dimethoxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone (PubChem CID 626866) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone
PubChem CID626866
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name(2,5-dimethoxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2coc3ccc(O)cc23)c1
InChIInChI=1S/C17H14O5/c1-20-11-4-6-15(21-2)13(8-11)17(19)14-9-22-16-5-3-10(18)7-12(14)16/h3-9,18H,1-2H3
InChIKeyZZXSSXYHBWCWGF-UHFFFAOYSA-N
XLogP3.39
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone (CID 626866) is (2,5-dimethoxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone is COc1ccc(OC)c(C(=O)c2coc3ccc(O)cc23)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone?
The InChIKey is ZZXSSXYHBWCWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-20-11-4-6-15(21-2)13(8-11)17(19)14-9-22-16-5-3-10(18)7-12(14)16/h3-9,18H,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone?
(2,5-dimethoxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone has a molecular weight of 298.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 626866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).