O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine

C11H17NO3 — CID 71207187

IUPACO-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine
SMILESCCCOc1ccc(CON)cc1OC
InChIInChI=1S/C11H17NO3/c1-3-6-14-10-5-4-9(8-15-12)7-11(10)13-2/h4-5,7H,3,6,8,12H2,1-2H3
InChIKeyXSZMCUZNRFOXIV-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.87
Rot. Bonds6

About O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine

O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine (PubChem CID 71207187) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine
PubChem CID71207187
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameO-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine
SMILESCCCOc1ccc(CON)cc1OC
InChIInChI=1S/C11H17NO3/c1-3-6-14-10-5-4-9(8-15-12)7-11(10)13-2/h4-5,7H,3,6,8,12H2,1-2H3
InChIKeyXSZMCUZNRFOXIV-UHFFFAOYSA-N
XLogP1.87
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate
CID 78791179
(3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate
CID 78840809
(3-methoxy-4-propoxyphenyl)methyl thiocyanate
CID 142224175
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
(3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate
CID 78837283
O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine
CID 13380966
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
(4-butoxy-3-methoxyphenyl)methylazanium
CID 7139463
2-[2-methoxy-4-(methoxymethyl)phenoxy]ethanol
CID 102411892
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
(3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate
CID 167764210

Frequently Asked Questions

What is the IUPAC name of O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine (CID 71207187) is O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine is CCCOc1ccc(CON)cc1OC.
What is the InChIKey of O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine?
The InChIKey is XSZMCUZNRFOXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-6-14-10-5-4-9(8-15-12)7-11(10)13-2/h4-5,7H,3,6,8,12H2,1-2H3.
What are the key properties of O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine?
O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine has a molecular weight of 211.26 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 71207187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).