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

C17H21NO6 — CID 59272429

IUPAC1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone
SMILESCOc1c(C(C)=O)c(O)c(OCCN2CCOCC2)c2occc12
InChIInChI=1S/C17H21NO6/c1-11(19)13-14(20)17(16-12(3-7-23-16)15(13)21-2)24-10-6-18-4-8-22-9-5-18/h3,7,20H,4-6,8-10H2,1-2H3
InChIKeyQWBNRAJROKUXLQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.06
Rot. Bonds6

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

1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone (PubChem CID 59272429) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone.

Molecular Properties

Compound Name1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone
PubChem CID59272429
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Name1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone
SMILESCOc1c(C(C)=O)c(O)c(OCCN2CCOCC2)c2occc12
InChIInChI=1S/C17H21NO6/c1-11(19)13-14(20)17(16-12(3-7-23-16)15(13)21-2)24-10-6-18-4-8-22-9-5-18/h3,7,20H,4-6,8-10H2,1-2H3
InChIKeyQWBNRAJROKUXLQ-UHFFFAOYSA-N
XLogP2.06
TPSA81.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone with MolForge

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Related Compounds

1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone
CID 154183817
1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone
CID 11618060
1-[6-[7-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]heptoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 11467223
1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylbutoxy)-1-benzofuran-5-yl]ethanone
CID 24992606
1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone
CID 68708739
1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-[(3-phenyloxiran-2-yl)methoxy]-1-benzofuran-5-yl]ethanone
CID 74381937
1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
CID 3050336
1-[4,7-dimethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]-1-benzofuran-5-yl]-3-methylurea;hydrate
CID 21152554
1-[6-[2-(azocan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
CID 3050337
1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone
CID 3021610
1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone
CID 71328929
N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide
CID 3058966

Frequently Asked Questions

What is the IUPAC name of 1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone?
The IUPAC name of 1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone (CID 59272429) is 1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone.
What is the SMILES notation for 1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone?
The canonical SMILES for 1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone is COc1c(C(C)=O)c(O)c(OCCN2CCOCC2)c2occc12.
What is the InChIKey of 1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone?
The InChIKey is QWBNRAJROKUXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6/c1-11(19)13-14(20)17(16-12(3-7-23-16)15(13)21-2)24-10-6-18-4-8-22-9-5-18/h3,7,20H,4-6,8-10H2,1-2H3.
What are the key properties of 1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone?
1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone has a molecular weight of 335.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone is sourced from PubChem (CID 59272429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).