(Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine

C16H12Cl3NO3 — CID 7701444

IUPAC(Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine
SMILESClc1cc2c(c(CO/N=C\c3cccc(Cl)c3Cl)c1)OCOC2
InChIInChI=1S/C16H12Cl3NO3/c17-13-4-11-7-21-9-22-16(11)12(5-13)8-23-20-6-10-2-1-3-14(18)15(10)19/h1-6H,7-9H2/b20-6-
InChIKeyUGNGSOURBBOYFI-IOXNKQMXSA-N
MW372.64 g/mol
LogP5.06
Rot. Bonds4

About (Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine

(Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine (PubChem CID 7701444) has the molecular formula C16H12Cl3NO3 and a molecular weight of 372.64 g/mol. Its IUPAC name is (Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine
PubChem CID7701444
Molecular FormulaC16H12Cl3NO3
Molecular Weight372.64 g/mol
Exact Mass370.99
IUPAC Name(Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine
SMILESClc1cc2c(c(CO/N=C\c3cccc(Cl)c3Cl)c1)OCOC2
InChIInChI=1S/C16H12Cl3NO3/c17-13-4-11-7-21-9-22-16(11)12(5-13)8-23-20-6-10-2-1-3-14(18)15(10)19/h1-6H,7-9H2/b20-6-
InChIKeyUGNGSOURBBOYFI-IOXNKQMXSA-N
XLogP5.06
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 55.06
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 (Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine with MolForge

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Related Compounds

8-[(2,6-dichlorophenoxy)methyl]-4H-1,3-benzodioxin-6-amine
CID 60801080
(Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine
CID 7701469
8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine
CID 29062536
(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
CID 16770161
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(3-bromophenyl)prop-2-enoate
CID 8663091
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-hydroxybenzoate
CID 7484890
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]benzoic acid
CID 45394172
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-fluorobenzoate
CID 7508664
(Z)-1-(4-bromophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]methanimine
CID 7702215
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-hydroxy-3-methylbenzoate
CID 7416188
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3,6-dichloropyridine-2-carboxylate
CID 55308827
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2,6-dichlorophenyl)sulfonylpiperazine
CID 32722422

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine?
The IUPAC name of (Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine (CID 7701444) is (Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine.
What is the SMILES notation for (Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine?
The canonical SMILES for (Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine is Clc1cc2c(c(CO/N=C\c3cccc(Cl)c3Cl)c1)OCOC2.
What is the InChIKey of (Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine?
The InChIKey is UGNGSOURBBOYFI-IOXNKQMXSA-N. The full InChI is InChI=1S/C16H12Cl3NO3/c17-13-4-11-7-21-9-22-16(11)12(5-13)8-23-20-6-10-2-1-3-14(18)15(10)19/h1-6H,7-9H2/b20-6-.
What are the key properties of (Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine?
(Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine has a molecular weight of 372.64 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine is sourced from PubChem (CID 7701444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).