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

C20H19Cl4NO3 — CID 18429789

IUPAC(E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine
SMILESCC(C)O/N=C/c1ccc(COc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1
InChIInChI=1S/C20H19Cl4NO3/c1-13(2)28-25-11-14-3-5-15(6-4-14)12-27-20-17(21)9-16(10-18(20)22)26-8-7-19(23)24/h3-7,9-11,13H,8,12H2,1-2H3/b25-11+
InChIKeyPPFYQRPDUDOLTD-OPEKNORGSA-N
MW463.19 g/mol
LogP7.03
Rot. Bonds9

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

(E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine (PubChem CID 18429789) has the molecular formula C20H19Cl4NO3 and a molecular weight of 463.19 g/mol. Its IUPAC name is (E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine.

Molecular Properties

Compound Name(E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine
PubChem CID18429789
Molecular FormulaC20H19Cl4NO3
Molecular Weight463.19 g/mol
Exact Mass461.01
IUPAC Name(E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine
SMILESCC(C)O/N=C/c1ccc(COc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1
InChIInChI=1S/C20H19Cl4NO3/c1-13(2)28-25-11-14-3-5-15(6-4-14)12-27-20-17(21)9-16(10-18(20)22)26-8-7-19(23)24/h3-7,9-11,13H,8,12H2,1-2H3/b25-11+
InChIKeyPPFYQRPDUDOLTD-OPEKNORGSA-N
XLogP7.03
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.19
LogP ≤ 57.03
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'}

Analyze (E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]benzaldehyde
CID 18429639
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene
CID 54079745
(E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine
CID 18430188
1-[4-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]ethoxy]phenyl]-N-(2-methylpropoxy)methanimine
CID 54139366
1-(4-chlorophenyl)-N-[4-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]butoxy]methanimine
CID 54482117
4-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]butyl N-propan-2-yloxyethanimidate
CID 173216345
(E)-N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]ethoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 18430098
1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54133005
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene
CID 18725396
(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(4-methoxyphenyl)methoxy]pentan-1-imine
CID 18429732
1,3-dichloro-2-[[3-(3,4-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54496675
(E)-N-[5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 18430274

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine?
The IUPAC name of (E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine (CID 18429789) is (E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine.
What is the SMILES notation for (E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine?
The canonical SMILES for (E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine is CC(C)O/N=C/c1ccc(COc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1.
What is the InChIKey of (E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine?
The InChIKey is PPFYQRPDUDOLTD-OPEKNORGSA-N. The full InChI is InChI=1S/C20H19Cl4NO3/c1-13(2)28-25-11-14-3-5-15(6-4-14)12-27-20-17(21)9-16(10-18(20)22)26-8-7-19(23)24/h3-7,9-11,13H,8,12H2,1-2H3/b25-11+.
What are the key properties of (E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine?
(E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine has a molecular weight of 463.19 g/mol, XLogP of 7.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine is sourced from PubChem (CID 18429789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).