2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol

C18H18Cl2N2O4 — CID 177397965

IUPAC2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol
SMILESC/C(=N\OCCCO/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1O
InChIInChI=1S/C18H18Cl2N2O4/c1-12(15-5-2-3-6-17(15)23)22-26-8-4-7-25-21-11-13-9-14(19)10-16(20)18(13)24/h2-3,5-6,9-11,23-24H,4,7-8H2,1H3/b21-11+,22-12+
InChIKeyMURHVHZDLNUOEB-XHQRYOPUSA-N
MW397.26 g/mol
LogP4.59
Rot. Bonds8

About 2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol

2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol (PubChem CID 177397965) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol
PubChem CID177397965
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Name2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol
SMILESC/C(=N\OCCCO/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1O
InChIInChI=1S/C18H18Cl2N2O4/c1-12(15-5-2-3-6-17(15)23)22-26-8-4-7-25-21-11-13-9-14(19)10-16(20)18(13)24/h2-3,5-6,9-11,23-24H,4,7-8H2,1H3/b21-11+,22-12+
InChIKeyMURHVHZDLNUOEB-XHQRYOPUSA-N
XLogP4.59
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol
CID 139073697
2-[(E)-N-[3-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]oxypropoxy]-C-methylcarbonimidoyl]naphthalen-1-ol
CID 139076819
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide
CID 2725439
2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
CID 3884626
ethyl (2S,3S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-hydroxy-3-phenylpropanoate
CID 1352916
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol
CID 137300721
(2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 136909038
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 590757
2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol
CID 4662873
3,6-bis[(E)-2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]benzene-1,2-diol
CID 139118549

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol (CID 177397965) is 2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol is C/C(=N\OCCCO/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1O.
What is the InChIKey of 2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol?
The InChIKey is MURHVHZDLNUOEB-XHQRYOPUSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-12(15-5-2-3-6-17(15)23)22-26-8-4-7-25-21-11-13-9-14(19)10-16(20)18(13)24/h2-3,5-6,9-11,23-24H,4,7-8H2,1H3/b21-11+,22-12+.
What are the key properties of 2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol?
2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol has a molecular weight of 397.26 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol is sourced from PubChem (CID 177397965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).