1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene

C17H18Cl2O2 — CID 11186405

IUPAC1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene
SMILESCCOC(OCC)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2O2/c1-3-20-17(21-4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12H,3-4H2,1-2H3
InChIKeyKEEPZEMTSCAJQE-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.27
Rot. Bonds6

About 1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene

1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene (PubChem CID 11186405) has the molecular formula C17H18Cl2O2 and a molecular weight of 325.24 g/mol. Its IUPAC name is 1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene
PubChem CID11186405
Molecular FormulaC17H18Cl2O2
Molecular Weight325.24 g/mol
Exact Mass324.07
IUPAC Name1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene
SMILESCCOC(OCC)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2O2/c1-3-20-17(21-4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12H,3-4H2,1-2H3
InChIKeyKEEPZEMTSCAJQE-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene?
The IUPAC name of 1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene (CID 11186405) is 1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene.
What is the SMILES notation for 1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene?
The canonical SMILES for 1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene is CCOC(OCC)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene?
The InChIKey is KEEPZEMTSCAJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O2/c1-3-20-17(21-4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene?
1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene has a molecular weight of 325.24 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene is sourced from PubChem (CID 11186405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).