1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one

C20H20O3 — CID 101462392

IUPAC1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one
SMILESCCC(=O)CCc1c(-c2ccc(OC)cc2)oc2ccccc12
InChIInChI=1S/C20H20O3/c1-3-15(21)10-13-18-17-6-4-5-7-19(17)23-20(18)14-8-11-16(22-2)12-9-14/h4-9,11-12H,3,10,13H2,1-2H3
InChIKeyKXNYHRYNPILRID-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.02
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one

1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one (PubChem CID 101462392) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one
PubChem CID101462392
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one
SMILESCCC(=O)CCc1c(-c2ccc(OC)cc2)oc2ccccc12
InChIInChI=1S/C20H20O3/c1-3-15(21)10-13-18-17-6-4-5-7-19(17)23-20(18)14-8-11-16(22-2)12-9-14/h4-9,11-12H,3,10,13H2,1-2H3
InChIKeyKXNYHRYNPILRID-UHFFFAOYSA-N
XLogP5.02
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one
CID 101462387
2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686
4-[1-butylimino-3-(4-methoxyphenyl)isochromen-4-yl]butan-2-one
CID 132555150
2-(4-methoxyphenyl)-1-benzofuran-3-amine
CID 102535586
methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
CID 2240973
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
ethyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]propanoate
CID 57338478
3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-phenyl-1-benzofuran
CID 122390967
3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran
CID 15854141
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239
(3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
CID 160606304

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one?
The IUPAC name of 1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one (CID 101462392) is 1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one is CCC(=O)CCc1c(-c2ccc(OC)cc2)oc2ccccc12.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one?
The InChIKey is KXNYHRYNPILRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-3-15(21)10-13-18-17-6-4-5-7-19(17)23-20(18)14-8-11-16(22-2)12-9-14/h4-9,11-12H,3,10,13H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one?
1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one has a molecular weight of 308.38 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one is sourced from PubChem (CID 101462392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).