1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone

C18H16O4 — CID 22221637

IUPAC1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone
SMILESCOc1ccc(-c2cc3cc(OC)cc(C(C)=O)c3o2)cc1
InChIInChI=1S/C18H16O4/c1-11(19)16-10-15(21-3)8-13-9-17(22-18(13)16)12-4-6-14(20-2)7-5-12/h4-10H,1-3H3
InChIKeyFKSCWGGILBGSEY-UHFFFAOYSA-N
MW296.32 g/mol
LogP4.32
Rot. Bonds4

About 1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone

1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone (PubChem CID 22221637) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone.

Molecular Properties

Compound Name1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone
PubChem CID22221637
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone
SMILESCOc1ccc(-c2cc3cc(OC)cc(C(C)=O)c3o2)cc1
InChIInChI=1S/C18H16O4/c1-11(19)16-10-15(21-3)8-13-9-17(22-18(13)16)12-4-6-14(20-2)7-5-12/h4-10H,1-3H3
InChIKeyFKSCWGGILBGSEY-UHFFFAOYSA-N
XLogP4.32
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
CID 10214897
4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102345821
ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
CID 142256355
CID 71043704
CID 71043704
methyl 2-methoxy-5-(4-methoxyphenyl)furan-3-carboxylate
CID 10038329
5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran
CID 10309404
4-methoxy-6-(4-methoxyphenyl)pyran-2-one
CID 13237931
2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran
CID 10358261
1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one
CID 122375914
6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 162875618
methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate
CID 68514199
4-(4-acetyl-5-methylfuran-2-yl)benzonitrile
CID 163755510

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone?
The IUPAC name of 1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone (CID 22221637) is 1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone.
What is the SMILES notation for 1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone?
The canonical SMILES for 1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone is COc1ccc(-c2cc3cc(OC)cc(C(C)=O)c3o2)cc1.
What is the InChIKey of 1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone?
The InChIKey is FKSCWGGILBGSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-11(19)16-10-15(21-3)8-13-9-17(22-18(13)16)12-4-6-14(20-2)7-5-12/h4-10H,1-3H3.
What are the key properties of 1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone?
1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone has a molecular weight of 296.32 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone is sourced from PubChem (CID 22221637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).