(E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine

C24H19Cl4NO3 — CID 18430188

IUPAC(E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine
SMILESClC(Cl)=CCOc1cc(Cl)c(OCc2cccc(/C=N/OCc3ccccc3)c2)c(Cl)c1
InChIInChI=1S/C24H19Cl4NO3/c25-21-12-20(30-10-9-23(27)28)13-22(26)24(21)31-15-19-8-4-7-18(11-19)14-29-32-16-17-5-2-1-3-6-17/h1-9,11-14H,10,15-16H2/b29-14+
InChIKeyONJZLJLNPWWYRP-IPPBACCNSA-N
MW511.23 g/mol
LogP7.82
Rot. Bonds10

About (E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine

(E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine (PubChem CID 18430188) has the molecular formula C24H19Cl4NO3 and a molecular weight of 511.23 g/mol. Its IUPAC name is (E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name(E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine
PubChem CID18430188
Molecular FormulaC24H19Cl4NO3
Molecular Weight511.23 g/mol
Exact Mass509.01
IUPAC Name(E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine
SMILESClC(Cl)=CCOc1cc(Cl)c(OCc2cccc(/C=N/OCc3ccccc3)c2)c(Cl)c1
InChIInChI=1S/C24H19Cl4NO3/c25-21-12-20(30-10-9-23(27)28)13-22(26)24(21)31-15-19-8-4-7-18(11-19)14-29-32-16-17-5-2-1-3-6-17/h1-9,11-14H,10,15-16H2/b29-14+
InChIKeyONJZLJLNPWWYRP-IPPBACCNSA-N
XLogP7.82
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.23
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene
CID 54079745
1,3-dichloro-2-[[3-(3,4-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54496675
(E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine
CID 18429789
1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 23203507
4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]benzaldehyde
CID 18429639
(E)-N-[5-[2-chloro-4-(3,3-dichloroprop-2-enoxy)-6-methylphenoxy]pentoxy]-1-phenylmethanimine
CID 18430192
1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54133005
1-(4-chlorophenyl)-N-[4-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]butoxy]methanimine
CID 54482117
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-(3-phenoxypropoxy)benzene
CID 54077529
(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(4-methoxyphenyl)methoxy]pentan-1-imine
CID 18429732
(E)-N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]ethoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 18430098
(E)-2-[4-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]butoxy]-N-phenylmethoxyethanimine
CID 18429885

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine?
The IUPAC name of (E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine (CID 18430188) is (E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine.
What is the SMILES notation for (E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine?
The canonical SMILES for (E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine is ClC(Cl)=CCOc1cc(Cl)c(OCc2cccc(/C=N/OCc3ccccc3)c2)c(Cl)c1.
What is the InChIKey of (E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine?
The InChIKey is ONJZLJLNPWWYRP-IPPBACCNSA-N. The full InChI is InChI=1S/C24H19Cl4NO3/c25-21-12-20(30-10-9-23(27)28)13-22(26)24(21)31-15-19-8-4-7-18(11-19)14-29-32-16-17-5-2-1-3-6-17/h1-9,11-14H,10,15-16H2/b29-14+.
What are the key properties of (E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine?
(E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine has a molecular weight of 511.23 g/mol, XLogP of 7.82, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine is sourced from PubChem (CID 18430188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).