1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one

C18H22O3 — CID 122375914

IUPAC1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one
SMILESCOc1ccc(-c2cc(C(=O)C(C)C)c(C(C)C)o2)cc1
InChIInChI=1S/C18H22O3/c1-11(2)17(19)15-10-16(21-18(15)12(3)4)13-6-8-14(20-5)9-7-13/h6-12H,1-5H3
InChIKeyDFYPTEFXQNDTJB-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.92
Rot. Bonds5

About 1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one

1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one (PubChem CID 122375914) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one
PubChem CID122375914
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one
SMILESCOc1ccc(-c2cc(C(=O)C(C)C)c(C(C)C)o2)cc1
InChIInChI=1S/C18H22O3/c1-11(2)17(19)15-10-16(21-18(15)12(3)4)13-6-8-14(20-5)9-7-13/h6-12H,1-5H3
InChIKeyDFYPTEFXQNDTJB-UHFFFAOYSA-N
XLogP4.92
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methoxy-5-(4-methoxyphenyl)furan-3-carboxylate
CID 10038329
methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate
CID 68514199
1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
CID 15267102
1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one
CID 83388472
1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone
CID 22221637
4-methoxy-6-(4-methoxyphenyl)pyran-2-one
CID 13237931
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one
CID 160879816
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
2-(4-methoxyphenyl)-1-benzofuran-6-ol
CID 14887928
[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 24993131
5-(4-methoxyphenyl)-1-methyl-2-propan-2-ylpyrrole-3-carboxylic acid
CID 82093513
bis(4-methoxy-2-propan-2-ylphenyl)methanone
CID 139968368

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one (CID 122375914) is 1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one is COc1ccc(-c2cc(C(=O)C(C)C)c(C(C)C)o2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one?
The InChIKey is DFYPTEFXQNDTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-11(2)17(19)15-10-16(21-18(15)12(3)4)13-6-8-14(20-5)9-7-13/h6-12H,1-5H3.
What are the key properties of 1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one?
1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one has a molecular weight of 286.37 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one is sourced from PubChem (CID 122375914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).