4-chloro-2-[(E)-(3-chlorophenyl)methoxyiminomethyl]phenol

C14H11Cl2NO2 — CID 135764811

IUPAC4-chloro-2-[(E)-(3-chlorophenyl)methoxyiminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/OCc1cccc(Cl)c1
InChIInChI=1S/C14H11Cl2NO2/c15-12-3-1-2-10(6-12)9-19-17-8-11-7-13(16)4-5-14(11)18/h1-8,18H,9H2/b17-8+
InChIKeyBIDGMQYVKKRUDT-CAOOACKPSA-N
MW296.15 g/mol
LogP4.25
Rot. Bonds4

About 4-chloro-2-[(E)-(3-chlorophenyl)methoxyiminomethyl]phenol

4-chloro-2-[(E)-(3-chlorophenyl)methoxyiminomethyl]phenol (PubChem CID 135764811) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 4-chloro-2-[(E)-(3-chlorophenyl)methoxyiminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-(3-chlorophenyl)methoxyiminomethyl]phenol
PubChem CID135764811
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name4-chloro-2-[(E)-(3-chlorophenyl)methoxyiminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/OCc1cccc(Cl)c1
InChIInChI=1S/C14H11Cl2NO2/c15-12-3-1-2-10(6-12)9-19-17-8-11-7-13(16)4-5-14(11)18/h1-8,18H,9H2/b17-8+
InChIKeyBIDGMQYVKKRUDT-CAOOACKPSA-N
XLogP4.25
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-2-{[(2-phenylethyl)imino]methyl}phenol
CID 2304556
4-Chloro-6-[1-(hydroxyamino)ethylidene]cyclohexa-2,4-dien-1-one
CID 135589127
5-Chloro-salicylaldehyde-guanylhydrazone
CID 248399
2-[[(2-Chlorophenyl)methylidenehydrazinylidene]methyl]phenol
CID 274036
2,2'-Bis[(5-chloro-2-hydroxyphenyl)methylene]-carbonic Dihydrazide
CID 135527074
5-Chloro-2-[(2-chlorobenzyl)oxy]benzaldehyde oxime
CID 6898137
N,N'-bis(5-chloro-2-hydroxybenzylidene)-1,3-propylenediamine
CID 258807
n,n'-Bis(5-chlorosalicylidene)ethylenediamine
CID 375851
(1E)-5-chloro-2-hydroxy-benzaldehyde hydrazone
CID 135715621
4-Chloro-2-[(e)-(2-hydroxyethylimino) methyl]phenol
CID 135848632
3,5-Dichloro-2-hydroxybenzaldehyde oxime
CID 135408734
4-Chloro-alpha-(methylimino)-o-cresol
CID 39505

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-(3-chlorophenyl)methoxyiminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-(3-chlorophenyl)methoxyiminomethyl]phenol (CID 135764811) is 4-chloro-2-[(E)-(3-chlorophenyl)methoxyiminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-(3-chlorophenyl)methoxyiminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-(3-chlorophenyl)methoxyiminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/OCc1cccc(Cl)c1.
What is the InChIKey of 4-chloro-2-[(E)-(3-chlorophenyl)methoxyiminomethyl]phenol?
The InChIKey is BIDGMQYVKKRUDT-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c15-12-3-1-2-10(6-12)9-19-17-8-11-7-13(16)4-5-14(11)18/h1-8,18H,9H2/b17-8+.
What are the key properties of 4-chloro-2-[(E)-(3-chlorophenyl)methoxyiminomethyl]phenol?
4-chloro-2-[(E)-(3-chlorophenyl)methoxyiminomethyl]phenol has a molecular weight of 296.15 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-(3-chlorophenyl)methoxyiminomethyl]phenol is sourced from PubChem (CID 135764811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).