5-[(E)-ethylideneamino]oxy-4,7-dimethoxy-1-benzofuran-6-ol

C12H13NO5 — CID 127261278

IUPAC5-[(E)-ethylideneamino]oxy-4,7-dimethoxy-1-benzofuran-6-ol
SMILESC/C=N/Oc1c(O)c(OC)c2occc2c1OC
InChIInChI=1S/C12H13NO5/c1-4-13-18-12-8(14)11(16-3)10-7(5-6-17-10)9(12)15-2/h4-6,14H,1-3H3/b13-4+
InChIKeySPFXBLYHVPYJRV-YIXHJXPBSA-N
MW251.24 g/mol
LogP2.54
Rot. Bonds4

About 5-[(E)-ethylideneamino]oxy-4,7-dimethoxy-1-benzofuran-6-ol

5-[(E)-ethylideneamino]oxy-4,7-dimethoxy-1-benzofuran-6-ol (PubChem CID 127261278) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 5-[(E)-ethylideneamino]oxy-4,7-dimethoxy-1-benzofuran-6-ol.

Molecular Properties

Compound Name5-[(E)-ethylideneamino]oxy-4,7-dimethoxy-1-benzofuran-6-ol
PubChem CID127261278
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name5-[(E)-ethylideneamino]oxy-4,7-dimethoxy-1-benzofuran-6-ol
SMILESC/C=N/Oc1c(O)c(OC)c2occc2c1OC
InChIInChI=1S/C12H13NO5/c1-4-13-18-12-8(14)11(16-3)10-7(5-6-17-10)9(12)15-2/h4-6,14H,1-3H3/b13-4+
InChIKeySPFXBLYHVPYJRV-YIXHJXPBSA-N
XLogP2.54
TPSA73.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-ethylideneamino]oxy-4,7-dimethoxy-1-benzofuran-6-ol?
The IUPAC name of 5-[(E)-ethylideneamino]oxy-4,7-dimethoxy-1-benzofuran-6-ol (CID 127261278) is 5-[(E)-ethylideneamino]oxy-4,7-dimethoxy-1-benzofuran-6-ol.
What is the SMILES notation for 5-[(E)-ethylideneamino]oxy-4,7-dimethoxy-1-benzofuran-6-ol?
The canonical SMILES for 5-[(E)-ethylideneamino]oxy-4,7-dimethoxy-1-benzofuran-6-ol is C/C=N/Oc1c(O)c(OC)c2occc2c1OC.
What is the InChIKey of 5-[(E)-ethylideneamino]oxy-4,7-dimethoxy-1-benzofuran-6-ol?
The InChIKey is SPFXBLYHVPYJRV-YIXHJXPBSA-N. The full InChI is InChI=1S/C12H13NO5/c1-4-13-18-12-8(14)11(16-3)10-7(5-6-17-10)9(12)15-2/h4-6,14H,1-3H3/b13-4+.
What are the key properties of 5-[(E)-ethylideneamino]oxy-4,7-dimethoxy-1-benzofuran-6-ol?
5-[(E)-ethylideneamino]oxy-4,7-dimethoxy-1-benzofuran-6-ol has a molecular weight of 251.24 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-ethylideneamino]oxy-4,7-dimethoxy-1-benzofuran-6-ol is sourced from PubChem (CID 127261278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).