[2-(3-amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C26H25NO7 — CID 56676497

IUPAC[2-(3-amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(N)c3)oc2c1
InChIInChI=1S/C26H25NO7/c1-29-16-7-8-17-20(13-16)34-25(14-6-9-19(30-2)18(27)10-14)23(17)24(28)15-11-21(31-3)26(33-5)22(12-15)32-4/h6-13H,27H2,1-5H3
InChIKeyCMEFMOKLOSBTSU-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.96
Rot. Bonds8

About [2-(3-amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(3-amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 56676497) has the molecular formula C26H25NO7 and a molecular weight of 463.49 g/mol. Its IUPAC name is [2-(3-amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3-amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID56676497
Molecular FormulaC26H25NO7
Molecular Weight463.49 g/mol
Exact Mass463.16
IUPAC Name[2-(3-amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(N)c3)oc2c1
InChIInChI=1S/C26H25NO7/c1-29-16-7-8-17-20(13-16)34-25(14-6-9-19(30-2)18(27)10-14)23(17)24(28)15-11-21(31-3)26(33-5)22(12-15)32-4/h6-13H,27H2,1-5H3
InChIKeyCMEFMOKLOSBTSU-UHFFFAOYSA-N
XLogP4.96
TPSA102.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3-amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(3-amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 56676497) is [2-(3-amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(3-amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(3-amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(N)c3)oc2c1.
What is the InChIKey of [2-(3-amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is CMEFMOKLOSBTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO7/c1-29-16-7-8-17-20(13-16)34-25(14-6-9-19(30-2)18(27)10-14)23(17)24(28)15-11-21(31-3)26(33-5)22(12-15)32-4/h6-13H,27H2,1-5H3.
What are the key properties of [2-(3-amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(3-amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 463.49 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 56676497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).