N-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine

C16H15NO4 — CID 76985153

IUPACN-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine
SMILESON=C1COc2cc(OCCOc3ccccc3)ccc21
InChIInChI=1S/C16H15NO4/c18-17-15-11-21-16-10-13(6-7-14(15)16)20-9-8-19-12-4-2-1-3-5-12/h1-7,10,18H,8-9,11H2
InChIKeyNEOMEKYLHNLISM-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.72
Rot. Bonds5

About N-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine

N-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine (PubChem CID 76985153) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine
PubChem CID76985153
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC NameN-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine
SMILESON=C1COc2cc(OCCOc3ccccc3)ccc21
InChIInChI=1S/C16H15NO4/c18-17-15-11-21-16-10-13(6-7-14(15)16)20-9-8-19-12-4-2-1-3-5-12/h1-7,10,18H,8-9,11H2
InChIKeyNEOMEKYLHNLISM-UHFFFAOYSA-N
XLogP2.72
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 N-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine?
The IUPAC name of N-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine (CID 76985153) is N-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine?
The canonical SMILES for N-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine is ON=C1COc2cc(OCCOc3ccccc3)ccc21.
What is the InChIKey of N-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine?
The InChIKey is NEOMEKYLHNLISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-17-15-11-21-16-10-13(6-7-14(15)16)20-9-8-19-12-4-2-1-3-5-12/h1-7,10,18H,8-9,11H2.
What are the key properties of N-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine?
N-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine has a molecular weight of 285.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine is sourced from PubChem (CID 76985153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).