2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol

C16H15Cl2NO3 — CID 135855323

IUPAC2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol
SMILESCOc1ccc(OCC/N=C/c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C16H15Cl2NO3/c1-21-13-2-4-14(5-3-13)22-7-6-19-10-11-8-12(17)9-15(18)16(11)20/h2-5,8-10,20H,6-7H2,1H3/b19-10+
InChIKeyIUAYCBNJEXKYTB-VXLYETTFSA-N
MW340.21 g/mol
LogP4.21
Rot. Bonds6

About 2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol

2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol (PubChem CID 135855323) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is 2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol
PubChem CID135855323
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol
SMILESCOc1ccc(OCC/N=C/c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C16H15Cl2NO3/c1-21-13-2-4-14(5-3-13)22-7-6-19-10-11-8-12(17)9-15(18)16(11)20/h2-5,8-10,20H,6-7H2,1H3/b19-10+
InChIKeyIUAYCBNJEXKYTB-VXLYETTFSA-N
XLogP4.21
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol
CID 2806894
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenoxy)propanamide
CID 137309812
2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol
CID 4662873
2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol
CID 135817980
2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
CID 3884626
2,4-dichloro-6-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]phenol
CID 135598194
2,4-dichloro-6-[(2,5-dimethoxyphenyl)iminomethyl]phenol
CID 710294
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
1,5-dichloro-2-[3-(4-methoxyphenoxy)propoxy]-3-methylbenzene
CID 4302361
2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 2796783
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol (CID 135855323) is 2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol is COc1ccc(OCC/N=C/c2cc(Cl)cc(Cl)c2O)cc1.
What is the InChIKey of 2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol?
The InChIKey is IUAYCBNJEXKYTB-VXLYETTFSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-21-13-2-4-14(5-3-13)22-7-6-19-10-11-8-12(17)9-15(18)16(11)20/h2-5,8-10,20H,6-7H2,1H3/b19-10+.
What are the key properties of 2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol?
2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol has a molecular weight of 340.21 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol is sourced from PubChem (CID 135855323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).