N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine

C11H12ClNO3 — CID 117356135

IUPACN-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine
SMILESCOc1cc(CNO)c(Cl)c2cc(C)oc12
InChIInChI=1S/C11H12ClNO3/c1-6-3-8-10(12)7(5-13-14)4-9(15-2)11(8)16-6/h3-4,13-14H,5H2,1-2H3
InChIKeyQMEZOHHLZIBJFE-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.88
Rot. Bonds3

About N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine

N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine (PubChem CID 117356135) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine
PubChem CID117356135
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC NameN-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine
SMILESCOc1cc(CNO)c(Cl)c2cc(C)oc12
InChIInChI=1S/C11H12ClNO3/c1-6-3-8-10(12)7(5-13-14)4-9(15-2)11(8)16-6/h3-4,13-14H,5H2,1-2H3
InChIKeyQMEZOHHLZIBJFE-UHFFFAOYSA-N
XLogP2.88
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.88
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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Related Compounds

1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine
CID 117392278
1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol
CID 117354046
1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol
CID 117427462
methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate
CID 117458145
2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)acetic acid
CID 117481516
[1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117492783
(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine
CID 117428277
4-amino-4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)butanoic acid
CID 117479325
N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine
CID 117280945
N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117287016
N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 84803061
5-chloro-7-methoxy-2-methyl-1-benzofuran
CID 135380056

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine?
The IUPAC name of N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine (CID 117356135) is N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine is COc1cc(CNO)c(Cl)c2cc(C)oc12.
What is the InChIKey of N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine?
The InChIKey is QMEZOHHLZIBJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-6-3-8-10(12)7(5-13-14)4-9(15-2)11(8)16-6/h3-4,13-14H,5H2,1-2H3.
What are the key properties of N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine?
N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine has a molecular weight of 241.67 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 117356135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).