1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine

C26H18Cl3NO2 — CID 126224806

IUPAC1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
SMILESClc1ccccc1COc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C26H18Cl3NO2/c27-23-9-5-4-6-19(23)17-31-26-24(28)14-18(15-25(26)29)16-30-20-10-12-22(13-11-20)32-21-7-2-1-3-8-21/h1-16H,17H2/b30-16+
InChIKeyWDLXCLUFNOSIBW-OKCVXOCRSA-N
MW482.79 g/mol
LogP8.77
Rot. Bonds7

About 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine

1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine (PubChem CID 126224806) has the molecular formula C26H18Cl3NO2 and a molecular weight of 482.79 g/mol. Its IUPAC name is 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
PubChem CID126224806
Molecular FormulaC26H18Cl3NO2
Molecular Weight482.79 g/mol
Exact Mass481.04
IUPAC Name1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
SMILESClc1ccccc1COc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C26H18Cl3NO2/c27-23-9-5-4-6-19(23)17-31-26-24(28)14-18(15-25(26)29)16-30-20-10-12-22(13-11-20)32-21-7-2-1-3-8-21/h1-16H,17H2/b30-16+
InChIKeyWDLXCLUFNOSIBW-OKCVXOCRSA-N
XLogP8.77
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.79
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126216177
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126222826
1-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126222259
1-[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126223016
1-[4-[(4-bromophenyl)methoxy]-3-chloro-5-ethoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126221350
1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126226443
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126221945
1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126215516
1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126219590
1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220882
1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126217830
1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217862

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine?
The IUPAC name of 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine (CID 126224806) is 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine?
The canonical SMILES for 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine is Clc1ccccc1COc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl.
What is the InChIKey of 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine?
The InChIKey is WDLXCLUFNOSIBW-OKCVXOCRSA-N. The full InChI is InChI=1S/C26H18Cl3NO2/c27-23-9-5-4-6-19(23)17-31-26-24(28)14-18(15-25(26)29)16-30-20-10-12-22(13-11-20)32-21-7-2-1-3-8-21/h1-16H,17H2/b30-16+.
What are the key properties of 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine?
1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine has a molecular weight of 482.79 g/mol, XLogP of 8.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine is sourced from PubChem (CID 126224806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).