N-(6-phenoxy-2,3-dihydro-1-benzofuran-3-yl)hydroxylamine

C14H13NO3 — CID 10514369

IUPACN-(6-phenoxy-2,3-dihydro-1-benzofuran-3-yl)hydroxylamine
SMILESONC1COc2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C14H13NO3/c16-15-13-9-17-14-8-11(6-7-12(13)14)18-10-4-2-1-3-5-10/h1-8,13,15-16H,9H2
InChIKeyKREKFICCGULTKE-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.89
Rot. Bonds3

About N-(6-phenoxy-2,3-dihydro-1-benzofuran-3-yl)hydroxylamine

N-(6-phenoxy-2,3-dihydro-1-benzofuran-3-yl)hydroxylamine (PubChem CID 10514369) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is N-(6-phenoxy-2,3-dihydro-1-benzofuran-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-(6-phenoxy-2,3-dihydro-1-benzofuran-3-yl)hydroxylamine
PubChem CID10514369
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC NameN-(6-phenoxy-2,3-dihydro-1-benzofuran-3-yl)hydroxylamine
SMILESONC1COc2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C14H13NO3/c16-15-13-9-17-14-8-11(6-7-12(13)14)18-10-4-2-1-3-5-10/h1-8,13,15-16H,9H2
InChIKeyKREKFICCGULTKE-UHFFFAOYSA-N
XLogP2.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-phenoxy-2,3-dihydro-1-benzofuran-3-yl)hydroxylamine?
The IUPAC name of N-(6-phenoxy-2,3-dihydro-1-benzofuran-3-yl)hydroxylamine (CID 10514369) is N-(6-phenoxy-2,3-dihydro-1-benzofuran-3-yl)hydroxylamine.
What is the SMILES notation for N-(6-phenoxy-2,3-dihydro-1-benzofuran-3-yl)hydroxylamine?
The canonical SMILES for N-(6-phenoxy-2,3-dihydro-1-benzofuran-3-yl)hydroxylamine is ONC1COc2cc(Oc3ccccc3)ccc21.
What is the InChIKey of N-(6-phenoxy-2,3-dihydro-1-benzofuran-3-yl)hydroxylamine?
The InChIKey is KREKFICCGULTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-15-13-9-17-14-8-11(6-7-12(13)14)18-10-4-2-1-3-5-10/h1-8,13,15-16H,9H2.
What are the key properties of N-(6-phenoxy-2,3-dihydro-1-benzofuran-3-yl)hydroxylamine?
N-(6-phenoxy-2,3-dihydro-1-benzofuran-3-yl)hydroxylamine has a molecular weight of 243.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenoxy-2,3-dihydro-1-benzofuran-3-yl)hydroxylamine is sourced from PubChem (CID 10514369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).