1,2-bis[4-(chloromethyl)phenoxy]benzene

C20H16Cl2O2 — CID 54463677

IUPAC1,2-bis[4-(chloromethyl)phenoxy]benzene
SMILESClCc1ccc(Oc2ccccc2Oc2ccc(CCl)cc2)cc1
InChIInChI=1S/C20H16Cl2O2/c21-13-15-5-9-17(10-6-15)23-19-3-1-2-4-20(19)24-18-11-7-16(14-22)8-12-18/h1-12H,13-14H2
InChIKeyXDJLKYDEWVYYAO-UHFFFAOYSA-N
MW359.25 g/mol
LogP6.75
Rot. Bonds6

About 1,2-bis[4-(chloromethyl)phenoxy]benzene

1,2-bis[4-(chloromethyl)phenoxy]benzene (PubChem CID 54463677) has the molecular formula C20H16Cl2O2 and a molecular weight of 359.25 g/mol. Its IUPAC name is 1,2-bis[4-(chloromethyl)phenoxy]benzene.

Molecular Properties

Compound Name1,2-bis[4-(chloromethyl)phenoxy]benzene
PubChem CID54463677
Molecular FormulaC20H16Cl2O2
Molecular Weight359.25 g/mol
Exact Mass358.05
IUPAC Name1,2-bis[4-(chloromethyl)phenoxy]benzene
SMILESClCc1ccc(Oc2ccccc2Oc2ccc(CCl)cc2)cc1
InChIInChI=1S/C20H16Cl2O2/c21-13-15-5-9-17(10-6-15)23-19-3-1-2-4-20(19)24-18-11-7-16(14-22)8-12-18/h1-12H,13-14H2
InChIKeyXDJLKYDEWVYYAO-UHFFFAOYSA-N
XLogP6.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.25
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-bis[4-(chloromethyl)phenoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(chloromethyl)-4-(2-fluorophenoxy)benzene
CID 22293096
1-chloro-3-[4-(chloromethyl)phenoxy]-2-fluorobenzene
CID 116689418
1-(chloromethyl)-4-(4-phenoxybutoxy)benzene
CID 23206644
2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 55221605
1-chloro-4-(chloromethyl)-2-phenoxybenzene
CID 150965989
chloromethylbenzene;ruthenium
CID 161305198
chloromethylbenzene;methane
CID 174969037
1-[4-(chloromethyl)phenoxy]-2-methyl-3-nitrobenzene
CID 54915213
2-bromo-4-chloro-1-[4-(chloromethyl)phenoxy]benzene
CID 28947286
1-(bromomethyl)-4-(2-methoxyphenoxy)benzene
CID 107087191
[4-(2-methoxyphenoxy)phenyl]methanol
CID 28946116
[4-(2-chlorophenoxy)phenyl]methanamine
CID 5152206

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[4-(chloromethyl)phenoxy]benzene?
The IUPAC name of 1,2-bis[4-(chloromethyl)phenoxy]benzene (CID 54463677) is 1,2-bis[4-(chloromethyl)phenoxy]benzene.
What is the SMILES notation for 1,2-bis[4-(chloromethyl)phenoxy]benzene?
The canonical SMILES for 1,2-bis[4-(chloromethyl)phenoxy]benzene is ClCc1ccc(Oc2ccccc2Oc2ccc(CCl)cc2)cc1.
What is the InChIKey of 1,2-bis[4-(chloromethyl)phenoxy]benzene?
The InChIKey is XDJLKYDEWVYYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2O2/c21-13-15-5-9-17(10-6-15)23-19-3-1-2-4-20(19)24-18-11-7-16(14-22)8-12-18/h1-12H,13-14H2.
What are the key properties of 1,2-bis[4-(chloromethyl)phenoxy]benzene?
1,2-bis[4-(chloromethyl)phenoxy]benzene has a molecular weight of 359.25 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[4-(chloromethyl)phenoxy]benzene is sourced from PubChem (CID 54463677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).