1-[6-[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]hexoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone

C30H34O10 — CID 10289694

IUPAC1-[6-[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]hexoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
SMILESCOc1c(C(C)=O)c(OCCCCCCOc2c(C(C)=O)c(OC)c3ccoc3c2OC)c(OC)c2occc12
InChIInChI=1S/C30H34O10/c1-17(31)21-23(33-3)19-11-15-39-25(19)29(35-5)27(21)37-13-9-7-8-10-14-38-28-22(18(2)32)24(34-4)20-12-16-40-26(20)30(28)36-6/h11-12,15-16H,7-10,13-14H2,1-6H3
InChIKeyGSDZMOYTZKAUNS-UHFFFAOYSA-N
MW554.59 g/mol
LogP6.64
Rot. Bonds15

About 1-[6-[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]hexoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone

1-[6-[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]hexoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone (PubChem CID 10289694) has the molecular formula C30H34O10 and a molecular weight of 554.59 g/mol. Its IUPAC name is 1-[6-[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]hexoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone.

Molecular Properties

Compound Name1-[6-[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]hexoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
PubChem CID10289694
Molecular FormulaC30H34O10
Molecular Weight554.59 g/mol
Exact Mass554.22
IUPAC Name1-[6-[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]hexoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
SMILESCOc1c(C(C)=O)c(OCCCCCCOc2c(C(C)=O)c(OC)c3ccoc3c2OC)c(OC)c2occc12
InChIInChI=1S/C30H34O10/c1-17(31)21-23(33-3)19-11-15-39-25(19)29(35-5)27(21)37-13-9-7-8-10-14-38-28-22(18(2)32)24(34-4)20-12-16-40-26(20)30(28)36-6/h11-12,15-16H,7-10,13-14H2,1-6H3
InChIKeyGSDZMOYTZKAUNS-UHFFFAOYSA-N
XLogP6.64
TPSA115.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.59
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-[6-[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]hexoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone?
The IUPAC name of 1-[6-[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]hexoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone (CID 10289694) is 1-[6-[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]hexoxy]-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)oxy]hexoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone?
The canonical SMILES for 1-[6-[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]hexoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone is COc1c(C(C)=O)c(OCCCCCCOc2c(C(C)=O)c(OC)c3ccoc3c2OC)c(OC)c2occc12.
What is the InChIKey of 1-[6-[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]hexoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone?
The InChIKey is GSDZMOYTZKAUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O10/c1-17(31)21-23(33-3)19-11-15-39-25(19)29(35-5)27(21)37-13-9-7-8-10-14-38-28-22(18(2)32)24(34-4)20-12-16-40-26(20)30(28)36-6/h11-12,15-16H,7-10,13-14H2,1-6H3.
What are the key properties of 1-[6-[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]hexoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone?
1-[6-[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]hexoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone has a molecular weight of 554.59 g/mol, XLogP of 6.64, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]hexoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone is sourced from PubChem (CID 10289694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).