O-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]phenyl]hydroxylamine;hydrochloride

C19H22Cl3NO3 — CID 18459363

IUPACO-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]phenyl]hydroxylamine;hydrochloride
SMILESCCc1cc(OCC=C(Cl)Cl)cc(CC)c1Oc1cccc(ON)c1.Cl
InChIInChI=1S/C19H21Cl2NO3.ClH/c1-3-13-10-17(23-9-8-18(20)21)11-14(4-2)19(13)24-15-6-5-7-16(12-15)25-22;/h5-8,10-12H,3-4,9,22H2,1-2H3;1H
InChIKeySQCGAYZEULNXCY-UHFFFAOYSA-N
MW418.75 g/mol
LogP5.98
Rot. Bonds8

About O-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]phenyl]hydroxylamine;hydrochloride

O-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]phenyl]hydroxylamine;hydrochloride (PubChem CID 18459363) has the molecular formula C19H22Cl3NO3 and a molecular weight of 418.75 g/mol. Its IUPAC name is O-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]phenyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]phenyl]hydroxylamine;hydrochloride
PubChem CID18459363
Molecular FormulaC19H22Cl3NO3
Molecular Weight418.75 g/mol
Exact Mass417.07
IUPAC NameO-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]phenyl]hydroxylamine;hydrochloride
SMILESCCc1cc(OCC=C(Cl)Cl)cc(CC)c1Oc1cccc(ON)c1.Cl
InChIInChI=1S/C19H21Cl2NO3.ClH/c1-3-13-10-17(23-9-8-18(20)21)11-14(4-2)19(13)24-15-6-5-7-16(12-15)25-22;/h5-8,10-12H,3-4,9,22H2,1-2H3;1H
InChIKeySQCGAYZEULNXCY-UHFFFAOYSA-N
XLogP5.98
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.75
LogP ≤ 55.98
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

2-(3-bromopropoxy)-5-(3,3-dichloroprop-2-enoxy)-1,3-diethylbenzene
CID 54380239
2-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-methylphenoxy]acetaldehyde
CID 54272416
2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate
CID 173216470
N-(3,3-dichloroprop-2-enoxy)-1-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]prop-1-en-2-amine
CID 57012692
1-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]-N-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine
CID 57217153
N-[2-[4-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethylidene]hydroxylamine
CID 86584396
3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-methylphenoxy]propyl N-(3,3-dichloroprop-2-enoxy)ethanimidate
CID 173216311
ethyl N-(3,3-dichloroprop-2-enoxy)-2-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanimidate
CID 173216474
[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenyl] N-[(2-methylpropan-2-yl)oxy]ethanimidate
CID 173216330
5-(3,3-dichloroprop-2-enoxy)-2-[4-(2,2-dimethoxyethoxy)butoxy]-1,3-diethylbenzene
CID 23282353
N-(3,3-dichloroprop-2-enoxy)-5-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]pent-1-en-1-amine
CID 57132606
(E)-N-(3,3-dichloroprop-2-enoxy)-2-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]ethanimine
CID 18429756

Frequently Asked Questions

What is the IUPAC name of O-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]phenyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]phenyl]hydroxylamine;hydrochloride (CID 18459363) is O-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]phenyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]phenyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]phenyl]hydroxylamine;hydrochloride is CCc1cc(OCC=C(Cl)Cl)cc(CC)c1Oc1cccc(ON)c1.Cl.
What is the InChIKey of O-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]phenyl]hydroxylamine;hydrochloride?
The InChIKey is SQCGAYZEULNXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3.ClH/c1-3-13-10-17(23-9-8-18(20)21)11-14(4-2)19(13)24-15-6-5-7-16(12-15)25-22;/h5-8,10-12H,3-4,9,22H2,1-2H3;1H.
What are the key properties of O-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]phenyl]hydroxylamine;hydrochloride?
O-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]phenyl]hydroxylamine;hydrochloride has a molecular weight of 418.75 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]phenyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 18459363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).