1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene

C18H16Cl2O — CID 141313993

IUPAC1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene
SMILESClCc1ccc(C=COC=Cc2ccc(CCl)cc2)cc1
InChIInChI=1S/C18H16Cl2O/c19-13-17-5-1-15(2-6-17)9-11-21-12-10-16-3-7-18(14-20)8-4-16/h1-12H,13-14H2
InChIKeyIZKMNYCUAFNGDF-UHFFFAOYSA-N
MW319.23 g/mol
LogP5.82
Rot. Bonds6

About 1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene

1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene (PubChem CID 141313993) has the molecular formula C18H16Cl2O and a molecular weight of 319.23 g/mol. Its IUPAC name is 1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene
PubChem CID141313993
Molecular FormulaC18H16Cl2O
Molecular Weight319.23 g/mol
Exact Mass318.06
IUPAC Name1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene
SMILESClCc1ccc(C=COC=Cc2ccc(CCl)cc2)cc1
InChIInChI=1S/C18H16Cl2O/c19-13-17-5-1-15(2-6-17)9-11-21-12-10-16-3-7-18(14-20)8-4-16/h1-12H,13-14H2
InChIKeyIZKMNYCUAFNGDF-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.23
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene?
The IUPAC name of 1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene (CID 141313993) is 1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene.
What is the SMILES notation for 1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene?
The canonical SMILES for 1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene is ClCc1ccc(C=COC=Cc2ccc(CCl)cc2)cc1.
What is the InChIKey of 1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene?
The InChIKey is IZKMNYCUAFNGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2O/c19-13-17-5-1-15(2-6-17)9-11-21-12-10-16-3-7-18(14-20)8-4-16/h1-12H,13-14H2.
What are the key properties of 1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene?
1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene has a molecular weight of 319.23 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene is sourced from PubChem (CID 141313993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).