1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene

C18H19Cl3O2 — CID 20326

IUPAC1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene
SMILESCCOc1ccc(C(c2ccc(OCC)cc2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C18H19Cl3O2/c1-3-22-15-9-5-13(6-10-15)17(18(19,20)21)14-7-11-16(12-8-14)23-4-2/h5-12,17H,3-4H2,1-2H3
InChIKeyRMWNXWAWVFPXNO-UHFFFAOYSA-N
MW373.71 g/mol
LogP5.99
Rot. Bonds6

About 1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene

1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene (PubChem CID 20326) has the molecular formula C18H19Cl3O2 and a molecular weight of 373.71 g/mol. Its IUPAC name is 1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene
PubChem CID20326
Molecular FormulaC18H19Cl3O2
Molecular Weight373.71 g/mol
Exact Mass372.05
IUPAC Name1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene
SMILESCCOc1ccc(C(c2ccc(OCC)cc2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C18H19Cl3O2/c1-3-22-15-9-5-13(6-10-15)17(18(19,20)21)14-7-11-16(12-8-14)23-4-2/h5-12,17H,3-4H2,1-2H3
InChIKeyRMWNXWAWVFPXNO-UHFFFAOYSA-N
XLogP5.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.71
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene?
The IUPAC name of 1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene (CID 20326) is 1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene?
The canonical SMILES for 1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene is CCOc1ccc(C(c2ccc(OCC)cc2)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene?
The InChIKey is RMWNXWAWVFPXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl3O2/c1-3-22-15-9-5-13(6-10-15)17(18(19,20)21)14-7-11-16(12-8-14)23-4-2/h5-12,17H,3-4H2,1-2H3.
What are the key properties of 1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene?
1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene has a molecular weight of 373.71 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene is sourced from PubChem (CID 20326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).