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

C32H30O10 — CID 11226936

IUPAC1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]phenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
SMILESCOc1c(C(C)=O)c(OCc2ccc(COc3c(C(C)=O)c(OC)c4ccoc4c3OC)cc2)c(OC)c2occc12
InChIInChI=1S/C32H30O10/c1-17(33)23-25(35-3)21-11-13-39-27(21)31(37-5)29(23)41-15-19-7-9-20(10-8-19)16-42-30-24(18(2)34)26(36-4)22-12-14-40-28(22)32(30)38-6/h7-14H,15-16H2,1-6H3
InChIKeyPDUPQMQVOQQAKM-UHFFFAOYSA-N
MW574.58 g/mol
LogP6.78
Rot. Bonds12

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

1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]phenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone (PubChem CID 11226936) has the molecular formula C32H30O10 and a molecular weight of 574.58 g/mol. Its IUPAC name is 1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]phenyl]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]phenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
PubChem CID11226936
Molecular FormulaC32H30O10
Molecular Weight574.58 g/mol
Exact Mass574.18
IUPAC Name1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]phenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
SMILESCOc1c(C(C)=O)c(OCc2ccc(COc3c(C(C)=O)c(OC)c4ccoc4c3OC)cc2)c(OC)c2occc12
InChIInChI=1S/C32H30O10/c1-17(33)23-25(35-3)21-11-13-39-27(21)31(37-5)29(23)41-15-19-7-9-20(10-8-19)16-42-30-24(18(2)34)26(36-4)22-12-14-40-28(22)32(30)38-6/h7-14H,15-16H2,1-6H3
InChIKeyPDUPQMQVOQQAKM-UHFFFAOYSA-N
XLogP6.78
TPSA115.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.58
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[6-[[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-pyridinyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 10175188
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
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-[6-(3-bromopropoxy)-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 59272425
1-[6-[5-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)sulfanyl]pentylsulfanyl]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 10289836
1-[7-methoxy-4-methyl-6-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone
CID 24995450
1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone
CID 71328929
1-[4-[(4-benzoylphenyl)methoxy]-7-methoxy-1-benzofuran-5-yl]ethanone
CID 11849015
2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone
CID 117364313
1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone
CID 154183817
1-[6-[1-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)sulfanyl]butylsulfanyl]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 87874421

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]phenyl]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]phenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone (CID 11226936) is 1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]phenyl]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]phenyl]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]phenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone is COc1c(C(C)=O)c(OCc2ccc(COc3c(C(C)=O)c(OC)c4ccoc4c3OC)cc2)c(OC)c2occc12.
What is the InChIKey of 1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]phenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone?
The InChIKey is PDUPQMQVOQQAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O10/c1-17(33)23-25(35-3)21-11-13-39-27(21)31(37-5)29(23)41-15-19-7-9-20(10-8-19)16-42-30-24(18(2)34)26(36-4)22-12-14-40-28(22)32(30)38-6/h7-14H,15-16H2,1-6H3.
What are the key properties of 1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]phenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone?
1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]phenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone has a molecular weight of 574.58 g/mol, XLogP of 6.78, 12 rotatable bonds, 0 hydrogen bond donors, and 10 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]phenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone is sourced from PubChem (CID 11226936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).