1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone

C20H20O4 — CID 11848335

IUPAC1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone
SMILESCOc1c(C(C)=O)cc(OCCCc2ccccc2)c2occc12
InChIInChI=1S/C20H20O4/c1-14(21)17-13-18(20-16(10-12-24-20)19(17)22-2)23-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3
InChIKeyOQNNHANYGCRAAC-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.66
Rot. Bonds7

About 1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone

1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone (PubChem CID 11848335) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone
PubChem CID11848335
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone
SMILESCOc1c(C(C)=O)cc(OCCCc2ccccc2)c2occc12
InChIInChI=1S/C20H20O4/c1-14(21)17-13-18(20-16(10-12-24-20)19(17)22-2)23-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3
InChIKeyOQNNHANYGCRAAC-UHFFFAOYSA-N
XLogP4.66
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone?
The IUPAC name of 1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone (CID 11848335) is 1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone.
What is the SMILES notation for 1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone?
The canonical SMILES for 1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone is COc1c(C(C)=O)cc(OCCCc2ccccc2)c2occc12.
What is the InChIKey of 1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone?
The InChIKey is OQNNHANYGCRAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-14(21)17-13-18(20-16(10-12-24-20)19(17)22-2)23-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3.
What are the key properties of 1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone?
1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone has a molecular weight of 324.38 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-7-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone is sourced from PubChem (CID 11848335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).