(3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol

C10H11NO3 — CID 136649683

IUPAC(3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol
SMILESCO/N=C1/COc2c1ccc(O)c2C
InChIInChI=1S/C10H11NO3/c1-6-9(12)4-3-7-8(11-13-2)5-14-10(6)7/h3-4,12H,5H2,1-2H3/b11-8-
InChIKeyPUYMUTILAGVEAN-FLIBITNWSA-N
MW193.20 g/mol
LogP1.44
Rot. Bonds1

About (3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol

(3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol (PubChem CID 136649683) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol.

Molecular Properties

Compound Name(3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol
PubChem CID136649683
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol
SMILESCO/N=C1/COc2c1ccc(O)c2C
InChIInChI=1S/C10H11NO3/c1-6-9(12)4-3-7-8(11-13-2)5-14-10(6)7/h3-4,12H,5H2,1-2H3/b11-8-
InChIKeyPUYMUTILAGVEAN-FLIBITNWSA-N
XLogP1.44
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol?
The IUPAC name of (3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol (CID 136649683) is (3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol.
What is the SMILES notation for (3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol?
The canonical SMILES for (3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol is CO/N=C1/COc2c1ccc(O)c2C.
What is the InChIKey of (3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol?
The InChIKey is PUYMUTILAGVEAN-FLIBITNWSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-9(12)4-3-7-8(11-13-2)5-14-10(6)7/h3-4,12H,5H2,1-2H3/b11-8-.
What are the key properties of (3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol?
(3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol has a molecular weight of 193.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol is sourced from PubChem (CID 136649683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).