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

C31H29NO10 — CID 10175188

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

1-[6-[[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-pyridinyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone (PubChem CID 10175188) has the molecular formula C31H29NO10 and a molecular weight of 575.57 g/mol. Its IUPAC name is 1-[6-[[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-pyridinyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[6-[[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-pyridinyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
• PubChem CID: 10175188
• Molecular Formula: C31H29NO10
• Molecular Weight: 575.57 g/mol
• Exact Mass: 575.18
• IUPAC Name: 1-[6-[[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-pyridinyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
• SMILES: COc1c(C(C)=O)c(OCc2ccc(COc3c(C(C)=O)c(OC)c4ccoc4c3OC)nc2)c(OC)c2occc12
• InChI: InChI=1S/C31H29NO10/c1-16(33)22-24(35-3)20-9-11-39-26(20)30(37-5)28(22)41-14-18-7-8-19(32-13-18)15-42-29-23(17(2)34)25(36-4)21-10-12-40-27(21)31(29)38-6/h7-13H,14-15H2,1-6H3
• InChIKey: PRHVYHXTFITCFQ-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 128.69 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	575.57
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-pyridinyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone?

The IUPAC name of 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) is 1-[6-[[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-pyridinyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone.

What is the SMILES notation for 1-[6-[[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-pyridinyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone?

The canonical SMILES for 1-[6-[[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-pyridinyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone is COc1c(C(C)=O)c(OCc2ccc(COc3c(C(C)=O)c(OC)c4ccoc4c3OC)nc2)c(OC)c2occc12.

What is the InChIKey of 1-[6-[[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-pyridinyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone?

The InChIKey is PRHVYHXTFITCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO10/c1-16(33)22-24(35-3)20-9-11-39-26(20)30(37-5)28(22)41-14-18-7-8-19(32-13-18)15-42-29-23(17(2)34)25(36-4)21-10-12-40-27(21)31(29)38-6/h7-13H,14-15H2,1-6H3.

What are the key properties of 1-[6-[[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-pyridinyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone?

1-[6-[[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-pyridinyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone has a molecular weight of 575.57 g/mol, XLogP of 6.17, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-pyridinyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone is sourced from PubChem (CID 10175188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).