1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene

C22H20Cl2O2 — CID 10340152

IUPAC1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene
SMILESClCc1ccc(OCc2ccc(COc3ccc(CCl)cc3)cc2)cc1
InChIInChI=1S/C22H20Cl2O2/c23-13-17-5-9-21(10-6-17)25-15-19-1-2-20(4-3-19)16-26-22-11-7-18(14-24)8-12-22/h1-12H,13-16H2
InChIKeyFHUAIYPRZSFHAD-UHFFFAOYSA-N
MW387.31 g/mol
LogP6.32
Rot. Bonds8

About 1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene

1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene (PubChem CID 10340152) has the molecular formula C22H20Cl2O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is 1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene
PubChem CID10340152
Molecular FormulaC22H20Cl2O2
Molecular Weight387.31 g/mol
Exact Mass386.08
IUPAC Name1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene
SMILESClCc1ccc(OCc2ccc(COc3ccc(CCl)cc3)cc2)cc1
InChIInChI=1S/C22H20Cl2O2/c23-13-17-5-9-21(10-6-17)25-15-19-1-2-20(4-3-19)16-26-22-11-7-18(14-24)8-12-22/h1-12H,13-16H2
InChIKeyFHUAIYPRZSFHAD-UHFFFAOYSA-N
XLogP6.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.31
LogP ≤ 56.32
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 1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene?
The IUPAC name of 1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene (CID 10340152) is 1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene?
The canonical SMILES for 1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene is ClCc1ccc(OCc2ccc(COc3ccc(CCl)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene?
The InChIKey is FHUAIYPRZSFHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2O2/c23-13-17-5-9-21(10-6-17)25-15-19-1-2-20(4-3-19)16-26-22-11-7-18(14-24)8-12-22/h1-12H,13-16H2.
What are the key properties of 1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene?
1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene has a molecular weight of 387.31 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene is sourced from PubChem (CID 10340152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).