(2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

C20H20O3 — CID 3019323

IUPAC(2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCCCCc1oc2ccccc2c1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H20O3/c1-3-4-8-18-19(16-7-5-6-9-17(16)23-18)20(21)14-10-12-15(22-2)13-11-14/h5-7,9-13H,3-4,8H2,1-2H3
InChIKeyZECBGDFBAKHQFF-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.01
Rot. Bonds6

About (2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

(2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 3019323) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
PubChem CID3019323
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name(2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCCCCc1oc2ccccc2c1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H20O3/c1-3-4-8-18-19(16-7-5-6-9-17(16)23-18)20(21)14-10-12-15(22-2)13-11-14/h5-7,9-13H,3-4,8H2,1-2H3
InChIKeyZECBGDFBAKHQFF-UHFFFAOYSA-N
XLogP5.01
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 ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (CID 3019323) is (2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is CCCCc1oc2ccccc2c1C(=O)c1ccc(OC)cc1.
What is the InChIKey of (2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is ZECBGDFBAKHQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-3-4-8-18-19(16-7-5-6-9-17(16)23-18)20(21)14-10-12-15(22-2)13-11-14/h5-7,9-13H,3-4,8H2,1-2H3.
What are the key properties of (2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
(2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 308.38 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 3019323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).