4-acetyl-6-(1-benzofuran-2-yl)-3-methyl-5-propan-2-ylpyran-2-one

C19H18O4 — CID 150703761

IUPAC4-acetyl-6-(1-benzofuran-2-yl)-3-methyl-5-propan-2-ylpyran-2-one
SMILESCC(=O)c1c(C(C)C)c(-c2cc3ccccc3o2)oc(=O)c1C
InChIInChI=1S/C19H18O4/c1-10(2)16-17(12(4)20)11(3)19(21)23-18(16)15-9-13-7-5-6-8-14(13)22-15/h5-10H,1-4H3
InChIKeyJMKSKYHBJRMWIF-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.69
Rot. Bonds3

About 4-acetyl-6-(1-benzofuran-2-yl)-3-methyl-5-propan-2-ylpyran-2-one

4-acetyl-6-(1-benzofuran-2-yl)-3-methyl-5-propan-2-ylpyran-2-one (PubChem CID 150703761) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-acetyl-6-(1-benzofuran-2-yl)-3-methyl-5-propan-2-ylpyran-2-one.

Molecular Properties

Compound Name4-acetyl-6-(1-benzofuran-2-yl)-3-methyl-5-propan-2-ylpyran-2-one
PubChem CID150703761
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name4-acetyl-6-(1-benzofuran-2-yl)-3-methyl-5-propan-2-ylpyran-2-one
SMILESCC(=O)c1c(C(C)C)c(-c2cc3ccccc3o2)oc(=O)c1C
InChIInChI=1S/C19H18O4/c1-10(2)16-17(12(4)20)11(3)19(21)23-18(16)15-9-13-7-5-6-8-14(13)22-15/h5-10H,1-4H3
InChIKeyJMKSKYHBJRMWIF-UHFFFAOYSA-N
XLogP4.69
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-benzofuran-2-yl)-3,5-dimethyl-6-oxopyran-4-yl] acetate;7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 18505647
[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-oxochromene-3-carboxylate
CID 8651549
[2-(1-benzofuran-2-yl)-3,5-dimethyl-6-oxopyran-4-yl] pyridine-4-carboxylate
CID 18505623
6-(1-benzofuran-2-yl)-5-but-2-enyl-4-hydroxy-3-methylpyran-2-one
CID 54731972
3-amino-5-(1-benzofuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid
CID 83034869
6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533402
[(1R)-1-phenylethyl] 2-oxochromene-3-carboxylate
CID 894703
3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one
CID 23248661
1-(1-benzofuran-2-yl)ethanone
CID 15435
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-oxochromene-3-carboxylate
CID 7785609
5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol
CID 170781894
dihydroxy(oxo)phosphanium;3-methylchromen-2-one
CID 175149371

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-6-(1-benzofuran-2-yl)-3-methyl-5-propan-2-ylpyran-2-one?
The IUPAC name of 4-acetyl-6-(1-benzofuran-2-yl)-3-methyl-5-propan-2-ylpyran-2-one (CID 150703761) is 4-acetyl-6-(1-benzofuran-2-yl)-3-methyl-5-propan-2-ylpyran-2-one.
What is the SMILES notation for 4-acetyl-6-(1-benzofuran-2-yl)-3-methyl-5-propan-2-ylpyran-2-one?
The canonical SMILES for 4-acetyl-6-(1-benzofuran-2-yl)-3-methyl-5-propan-2-ylpyran-2-one is CC(=O)c1c(C(C)C)c(-c2cc3ccccc3o2)oc(=O)c1C.
What is the InChIKey of 4-acetyl-6-(1-benzofuran-2-yl)-3-methyl-5-propan-2-ylpyran-2-one?
The InChIKey is JMKSKYHBJRMWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-10(2)16-17(12(4)20)11(3)19(21)23-18(16)15-9-13-7-5-6-8-14(13)22-15/h5-10H,1-4H3.
What are the key properties of 4-acetyl-6-(1-benzofuran-2-yl)-3-methyl-5-propan-2-ylpyran-2-one?
4-acetyl-6-(1-benzofuran-2-yl)-3-methyl-5-propan-2-ylpyran-2-one has a molecular weight of 310.35 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-6-(1-benzofuran-2-yl)-3-methyl-5-propan-2-ylpyran-2-one is sourced from PubChem (CID 150703761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).