2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol

C15H13Cl2NO2 — CID 2806894

IUPAC2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol
SMILESCOc1ccc(C/N=C/c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C15H13Cl2NO2/c1-20-13-4-2-10(3-5-13)8-18-9-11-6-12(16)7-14(17)15(11)19/h2-7,9,19H,8H2,1H3/b18-9+
InChIKeyMLNWBYMLDBYZHG-GIJQJNRQSA-N
MW310.18 g/mol
LogP4.33
Rot. Bonds4

About 2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol

2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol (PubChem CID 2806894) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol
PubChem CID2806894
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol
SMILESCOc1ccc(C/N=C/c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C15H13Cl2NO2/c1-20-13-4-2-10(3-5-13)8-18-9-11-6-12(16)7-14(17)15(11)19/h2-7,9,19H,8H2,1H3/b18-9+
InChIKeyMLNWBYMLDBYZHG-GIJQJNRQSA-N
XLogP4.33
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol
CID 135855323
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
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenoxy)propanamide
CID 137309812
2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol
CID 135595429
2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
CID 3884626
2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol
CID 4662873
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
2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol
CID 4102719
2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 2796783
1-[3-[(4-methoxyphenyl)iminomethyl]phenyl]-N-[(4-methoxyphenyl)methyl]methanimine
CID 160577318

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol (CID 2806894) is 2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol is COc1ccc(C/N=C/c2cc(Cl)cc(Cl)c2O)cc1.
What is the InChIKey of 2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol?
The InChIKey is MLNWBYMLDBYZHG-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-20-13-4-2-10(3-5-13)8-18-9-11-6-12(16)7-14(17)15(11)19/h2-7,9,19H,8H2,1H3/b18-9+.
What are the key properties of 2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol?
2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol has a molecular weight of 310.18 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol is sourced from PubChem (CID 2806894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).