1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone

C15H18O6 — CID 154183817

IUPAC1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone
SMILESCCOCCOc1c(C(C)=O)c(O)c(OC)c2occc12
InChIInChI=1S/C15H18O6/c1-4-19-7-8-21-13-10-5-6-20-14(10)15(18-3)12(17)11(13)9(2)16/h5-6,17H,4,7-8H2,1-3H3
InChIKeyNQRYAMIYTHMHCY-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.76
Rot. Bonds7

About 1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone

1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone (PubChem CID 154183817) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone
PubChem CID154183817
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone
SMILESCCOCCOc1c(C(C)=O)c(O)c(OC)c2occc12
InChIInChI=1S/C15H18O6/c1-4-19-7-8-21-13-10-5-6-20-14(10)15(18-3)12(17)11(13)9(2)16/h5-6,17H,4,7-8H2,1-3H3
InChIKeyNQRYAMIYTHMHCY-UHFFFAOYSA-N
XLogP2.76
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone?
The IUPAC name of 1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone (CID 154183817) is 1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone.
What is the SMILES notation for 1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone?
The canonical SMILES for 1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone is CCOCCOc1c(C(C)=O)c(O)c(OC)c2occc12.
What is the InChIKey of 1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone?
The InChIKey is NQRYAMIYTHMHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O6/c1-4-19-7-8-21-13-10-5-6-20-14(10)15(18-3)12(17)11(13)9(2)16/h5-6,17H,4,7-8H2,1-3H3.
What are the key properties of 1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone?
1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone has a molecular weight of 294.30 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone is sourced from PubChem (CID 154183817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).