Bis(p-chlorobenzyl) ether

C14H12Cl2O — CID 41869

IUPAC1-chloro-4-[(4-chlorophenyl)methoxymethyl]benzene
SMILESC1=CC(=CC=C1COCC2=CC=C(C=C2)Cl)Cl
InChIInChI=1S/C14H12Cl2O/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2
InChIKeyREXQTRHCVRPOMB-UHFFFAOYSA-N
MW267.10 g/mol
LogP4.30
Rot. Bonds4

About Bis(p-chlorobenzyl) ether

Bis(p-chlorobenzyl) ether (PubChem CID 41869) has the molecular formula C14H12Cl2O and a molecular weight of 267.10 g/mol. Its IUPAC name is 1-chloro-4-[(4-chlorophenyl)methoxymethyl]benzene.

Molecular Properties

Compound NameBis(p-chlorobenzyl) ether
PubChem CID41869
Molecular FormulaC14H12Cl2O
Molecular Weight267.10 g/mol
Exact Mass266.03
IUPAC Name1-chloro-4-[(4-chlorophenyl)methoxymethyl]benzene
SMILESC1=CC(=CC=C1COCC2=CC=C(C=C2)Cl)Cl
InChIInChI=1S/C14H12Cl2O/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2
InChIKeyREXQTRHCVRPOMB-UHFFFAOYSA-N
XLogP4.30
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity184

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of Bis(p-chlorobenzyl) ether?
The IUPAC name of Bis(p-chlorobenzyl) ether (CID 41869) is 1-chloro-4-[(4-chlorophenyl)methoxymethyl]benzene.
What is the SMILES notation for Bis(p-chlorobenzyl) ether?
The canonical SMILES for Bis(p-chlorobenzyl) ether is C1=CC(=CC=C1COCC2=CC=C(C=C2)Cl)Cl.
What is the InChIKey of Bis(p-chlorobenzyl) ether?
The InChIKey is REXQTRHCVRPOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2.
What are the key properties of Bis(p-chlorobenzyl) ether?
Bis(p-chlorobenzyl) ether has a molecular weight of 267.10 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(p-chlorobenzyl) ether is sourced from PubChem (CID 41869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).