1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione

C19H16O4 — CID 90363608

IUPAC1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione
SMILESCOc1cccc(C(=O)CCC(=O)c2ccc3occc3c2)c1
InChIInChI=1S/C19H16O4/c1-22-16-4-2-3-13(12-16)17(20)6-7-18(21)14-5-8-19-15(11-14)9-10-23-19/h2-5,8-12H,6-7H2,1H3
InChIKeyYKDDOSGXDIKUKI-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.29
Rot. Bonds6

About 1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione

1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione (PubChem CID 90363608) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione
PubChem CID90363608
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione
SMILESCOc1cccc(C(=O)CCC(=O)c2ccc3occc3c2)c1
InChIInChI=1S/C19H16O4/c1-22-16-4-2-3-13(12-16)17(20)6-7-18(21)14-5-8-19-15(11-14)9-10-23-19/h2-5,8-12H,6-7H2,1H3
InChIKeyYKDDOSGXDIKUKI-UHFFFAOYSA-N
XLogP4.29
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 90363754
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743
3-(1-benzofuran-5-yl)-1-phenylpropan-1-one
CID 140968669
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
methyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 134136443
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone
CID 64635946
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519
[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 4271424

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione?
The IUPAC name of 1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione (CID 90363608) is 1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione.
What is the SMILES notation for 1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione?
The canonical SMILES for 1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione is COc1cccc(C(=O)CCC(=O)c2ccc3occc3c2)c1.
What is the InChIKey of 1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione?
The InChIKey is YKDDOSGXDIKUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-22-16-4-2-3-13(12-16)17(20)6-7-18(21)14-5-8-19-15(11-14)9-10-23-19/h2-5,8-12H,6-7H2,1H3.
What are the key properties of 1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione?
1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione has a molecular weight of 308.33 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione is sourced from PubChem (CID 90363608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).