2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene

C14H11Cl3O — CID 114064510

IUPAC2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene
SMILESCc1cc(Cl)ccc1Oc1ccc(CCl)c(Cl)c1
InChIInChI=1S/C14H11Cl3O/c1-9-6-11(16)3-5-14(9)18-12-4-2-10(8-15)13(17)7-12/h2-7H,8H2,1H3
InChIKeyJPZYFBZEBPCNCW-UHFFFAOYSA-N
MW301.60 g/mol
LogP5.83
Rot. Bonds3

About 2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene

2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene (PubChem CID 114064510) has the molecular formula C14H11Cl3O and a molecular weight of 301.60 g/mol. Its IUPAC name is 2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene.

Molecular Properties

Compound Name2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene
PubChem CID114064510
Molecular FormulaC14H11Cl3O
Molecular Weight301.60 g/mol
Exact Mass299.99
IUPAC Name2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene
SMILESCc1cc(Cl)ccc1Oc1ccc(CCl)c(Cl)c1
InChIInChI=1S/C14H11Cl3O/c1-9-6-11(16)3-5-14(9)18-12-4-2-10(8-15)13(17)7-12/h2-7H,8H2,1H3
InChIKeyJPZYFBZEBPCNCW-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.60
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)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

4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene
CID 114846964
4-tert-butyl-1-[4-(chloromethyl)-3-methylphenoxy]-2-methylbenzene
CID 63567670
[4-(4-chloro-2-methylphenoxy)phenyl]methanol
CID 28946141
5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 114846926
4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene
CID 114846972
2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine
CID 63941169
4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene
CID 114846971
2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene
CID 114064490
4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685
[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol
CID 114846231
4-[3-chloro-4-(chloromethyl)phenoxy]benzonitrile
CID 114064507
3-(4-chloro-2-methylphenoxy)-5-methylaniline
CID 112648317

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene?
The IUPAC name of 2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene (CID 114064510) is 2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene.
What is the SMILES notation for 2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene?
The canonical SMILES for 2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene is Cc1cc(Cl)ccc1Oc1ccc(CCl)c(Cl)c1.
What is the InChIKey of 2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene?
The InChIKey is JPZYFBZEBPCNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3O/c1-9-6-11(16)3-5-14(9)18-12-4-2-10(8-15)13(17)7-12/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene?
2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene has a molecular weight of 301.60 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene is sourced from PubChem (CID 114064510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).