4-[5-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one

C24H22O4 — CID 135153879

IUPAC4-[5-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one
SMILESCOc1cccc(-c2ccc3oc(CCC(C)=O)c(-c4ccc(C)o4)c3c2)c1
InChIInChI=1S/C24H22O4/c1-15(25)7-10-23-24(22-11-8-16(2)27-22)20-14-18(9-12-21(20)28-23)17-5-4-6-19(13-17)26-3/h4-6,8-9,11-14H,7,10H2,1-3H3
InChIKeyMVDXGIGDGSTUKG-UHFFFAOYSA-N
MW374.44 g/mol
LogP6.20
Rot. Bonds6

About 4-[5-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one

4-[5-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one (PubChem CID 135153879) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[5-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one.

Molecular Properties

Compound Name4-[5-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one
PubChem CID135153879
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name4-[5-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one
SMILESCOc1cccc(-c2ccc3oc(CCC(C)=O)c(-c4ccc(C)o4)c3c2)c1
InChIInChI=1S/C24H22O4/c1-15(25)7-10-23-24(22-11-8-16(2)27-22)20-14-18(9-12-21(20)28-23)17-5-4-6-19(13-17)26-3/h4-6,8-9,11-14H,7,10H2,1-3H3
InChIKeyMVDXGIGDGSTUKG-UHFFFAOYSA-N
XLogP6.20
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one?
The IUPAC name of 4-[5-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one (CID 135153879) is 4-[5-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one.
What is the SMILES notation for 4-[5-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one?
The canonical SMILES for 4-[5-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one is COc1cccc(-c2ccc3oc(CCC(C)=O)c(-c4ccc(C)o4)c3c2)c1.
What is the InChIKey of 4-[5-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one?
The InChIKey is MVDXGIGDGSTUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-15(25)7-10-23-24(22-11-8-16(2)27-22)20-14-18(9-12-21(20)28-23)17-5-4-6-19(13-17)26-3/h4-6,8-9,11-14H,7,10H2,1-3H3.
What are the key properties of 4-[5-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one?
4-[5-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one has a molecular weight of 374.44 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one is sourced from PubChem (CID 135153879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).