O-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride

C9H13Cl2NO3 — CID 141354430

IUPACO-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride
SMILESCl.NOOCCCOc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO3.ClH/c10-8-2-4-9(5-3-8)12-6-1-7-13-14-11;/h2-5H,1,6-7,11H2;1H
InChIKeyVERUPHPUFQDSOE-UHFFFAOYSA-N
MW254.11 g/mol
LogP2.35
Rot. Bonds6

About O-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride

O-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride (PubChem CID 141354430) has the molecular formula C9H13Cl2NO3 and a molecular weight of 254.11 g/mol. Its IUPAC name is O-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride
PubChem CID141354430
Molecular FormulaC9H13Cl2NO3
Molecular Weight254.11 g/mol
Exact Mass253.03
IUPAC NameO-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride
SMILESCl.NOOCCCOc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO3.ClH/c10-8-2-4-9(5-3-8)12-6-1-7-13-14-11;/h2-5H,1,6-7,11H2;1H
InChIKeyVERUPHPUFQDSOE-UHFFFAOYSA-N
XLogP2.35
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[3-(4-chlorophenoxy)propyl]hydroxylamine;hydrochloride
CID 23437061
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
CID 154815318
3-[4-(4-chlorophenoxy)butoxy]propan-1-amine
CID 82352662
5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine
CID 82353611
2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol
CID 174353269
1-chloro-4-pent-4-ynoxybenzene
CID 15045663
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
(4-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576
2-[4-[3-(4-chlorophenoxy)propoxy]phenyl]acetic acid
CID 22761079
5-(4-chlorophenoxy)-N-methylpentan-1-amine
CID 62454431

Frequently Asked Questions

What is the IUPAC name of O-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride?
The IUPAC name of O-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride (CID 141354430) is O-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride?
The canonical SMILES for O-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride is Cl.NOOCCCOc1ccc(Cl)cc1.
What is the InChIKey of O-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride?
The InChIKey is VERUPHPUFQDSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3.ClH/c10-8-2-4-9(5-3-8)12-6-1-7-13-14-11;/h2-5H,1,6-7,11H2;1H.
What are the key properties of O-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride?
O-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride has a molecular weight of 254.11 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride is sourced from PubChem (CID 141354430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).