1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone

C32H30O11 — CID 10289942

IUPAC1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
SMILESCOc1c(C(C)=O)c(OCc2ccc(COc3c(C(C)=O)c(OC)c4ccoc4c3OC)c(O)c2)c(OC)c2occc12
InChIInChI=1S/C32H30O11/c1-16(33)23-25(36-3)20-9-11-40-27(20)31(38-5)29(23)42-14-18-7-8-19(22(35)13-18)15-43-30-24(17(2)34)26(37-4)21-10-12-41-28(21)32(30)39-6/h7-13,35H,14-15H2,1-6H3
InChIKeyCHQPBYXBLUNGLZ-UHFFFAOYSA-N
MW590.58 g/mol
LogP6.48
Rot. Bonds12

About 1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone

1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone (PubChem CID 10289942) has the molecular formula C32H30O11 and a molecular weight of 590.58 g/mol. Its IUPAC name is 1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone.

Molecular Properties

Compound Name1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
PubChem CID10289942
Molecular FormulaC32H30O11
Molecular Weight590.58 g/mol
Exact Mass590.18
IUPAC Name1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
SMILESCOc1c(C(C)=O)c(OCc2ccc(COc3c(C(C)=O)c(OC)c4ccoc4c3OC)c(O)c2)c(OC)c2occc12
InChIInChI=1S/C32H30O11/c1-16(33)23-25(36-3)20-9-11-40-27(20)31(38-5)29(23)42-14-18-7-8-19(22(35)13-18)15-43-30-24(17(2)34)26(37-4)21-10-12-41-28(21)32(30)39-6/h7-13,35H,14-15H2,1-6H3
InChIKeyCHQPBYXBLUNGLZ-UHFFFAOYSA-N
XLogP6.48
TPSA136.03 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500590.58
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone?
The IUPAC name of 1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone (CID 10289942) is 1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone.
What is the SMILES notation for 1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone?
The canonical SMILES for 1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone is COc1c(C(C)=O)c(OCc2ccc(COc3c(C(C)=O)c(OC)c4ccoc4c3OC)c(O)c2)c(OC)c2occc12.
What is the InChIKey of 1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone?
The InChIKey is CHQPBYXBLUNGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O11/c1-16(33)23-25(36-3)20-9-11-40-27(20)31(38-5)29(23)42-14-18-7-8-19(22(35)13-18)15-43-30-24(17(2)34)26(37-4)21-10-12-41-28(21)32(30)39-6/h7-13,35H,14-15H2,1-6H3.
What are the key properties of 1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone?
1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone has a molecular weight of 590.58 g/mol, XLogP of 6.48, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone is sourced from PubChem (CID 10289942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).