1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene

C15H14Cl2O — CID 28947175

IUPAC1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene
SMILESCc1ccc(C)c(Oc2cccc(Cl)c2CCl)c1
InChIInChI=1S/C15H14Cl2O/c1-10-6-7-11(2)15(8-10)18-14-5-3-4-13(17)12(14)9-16/h3-8H,9H2,1-2H3
InChIKeyHVWUQQHETMGSHG-UHFFFAOYSA-N
MW281.18 g/mol
LogP5.49
Rot. Bonds3

About 1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene

1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene (PubChem CID 28947175) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene
PubChem CID28947175
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene
SMILESCc1ccc(C)c(Oc2cccc(Cl)c2CCl)c1
InChIInChI=1S/C15H14Cl2O/c1-10-6-7-11(2)15(8-10)18-14-5-3-4-13(17)12(14)9-16/h3-8H,9H2,1-2H3
InChIKeyHVWUQQHETMGSHG-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.18
LogP ≤ 55.49
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

[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene
CID 64853464
1-tert-butyl-2-[3-chloro-2-(chloromethyl)phenoxy]-4-methylbenzene
CID 63565889
2-chloro-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 63565892
1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene
CID 28947164
2-chloro-6-(2,5-dimethylphenoxy)benzoic acid
CID 29037319
1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene
CID 63567494
2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 107725024
1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
CID 19792455
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549
1-chloro-2-(chloromethyl)-3-(2-methylsulfanylphenoxy)benzene
CID 63648869
2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
CID 63815220

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene?
The IUPAC name of 1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene (CID 28947175) is 1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene.
What is the SMILES notation for 1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene?
The canonical SMILES for 1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene is Cc1ccc(C)c(Oc2cccc(Cl)c2CCl)c1.
What is the InChIKey of 1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene?
The InChIKey is HVWUQQHETMGSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c1-10-6-7-11(2)15(8-10)18-14-5-3-4-13(17)12(14)9-16/h3-8H,9H2,1-2H3.
What are the key properties of 1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene?
1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene has a molecular weight of 281.18 g/mol, XLogP of 5.49, 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-(2,5-dimethylphenoxy)benzene is sourced from PubChem (CID 28947175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).