1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene

C13H9Cl3O — CID 28947164

IUPAC1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene
SMILESClCc1c(Cl)cccc1Oc1ccccc1Cl
InChIInChI=1S/C13H9Cl3O/c14-8-9-10(15)5-3-7-12(9)17-13-6-2-1-4-11(13)16/h1-7H,8H2
InChIKeyAMUNBRCWIGPWEN-UHFFFAOYSA-N
MW287.57 g/mol
LogP5.52
Rot. Bonds3

About 1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene

1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene (PubChem CID 28947164) has the molecular formula C13H9Cl3O and a molecular weight of 287.57 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene
PubChem CID28947164
Molecular FormulaC13H9Cl3O
Molecular Weight287.57 g/mol
Exact Mass285.97
IUPAC Name1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene
SMILESClCc1c(Cl)cccc1Oc1ccccc1Cl
InChIInChI=1S/C13H9Cl3O/c14-8-9-10(15)5-3-7-12(9)17-13-6-2-1-4-11(13)16/h1-7H,8H2
InChIKeyAMUNBRCWIGPWEN-UHFFFAOYSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.57
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene
CID 63567494
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
1-chloro-2-(chloromethyl)-3-(2-methylsulfanylphenoxy)benzene
CID 63648869
1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene
CID 28946947
1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene
CID 28947175
1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene
CID 28946983
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene
CID 64853464
2-chloro-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 63565892
8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline
CID 43352208
2-chloro-6-(2-chlorophenoxy)phenol
CID 101247244
1-tert-butyl-2-[3-chloro-2-(chloromethyl)phenoxy]-4-methylbenzene
CID 63565889

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene?
The IUPAC name of 1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene (CID 28947164) is 1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene.
What is the SMILES notation for 1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene?
The canonical SMILES for 1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene is ClCc1c(Cl)cccc1Oc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene?
The InChIKey is AMUNBRCWIGPWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3O/c14-8-9-10(15)5-3-7-12(9)17-13-6-2-1-4-11(13)16/h1-7H,8H2.
What are the key properties of 1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene?
1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene has a molecular weight of 287.57 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene is sourced from PubChem (CID 28947164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).