1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene

C15H14Cl2O — CID 114846944

IUPAC1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
SMILESCc1cccc(Oc2cc(Cl)ccc2CCl)c1C
InChIInChI=1S/C15H14Cl2O/c1-10-4-3-5-14(11(10)2)18-15-8-13(17)7-6-12(15)9-16/h3-8H,9H2,1-2H3
InChIKeyKBTKMCAIFHQIDF-UHFFFAOYSA-N
MW281.18 g/mol
LogP5.49
Rot. Bonds3

About 1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene

1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene (PubChem CID 114846944) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
PubChem CID114846944
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
SMILESCc1cccc(Oc2cc(Cl)ccc2CCl)c1C
InChIInChI=1S/C15H14Cl2O/c1-10-4-3-5-14(11(10)2)18-15-8-13(17)7-6-12(15)9-16/h3-8H,9H2,1-2H3
InChIKeyKBTKMCAIFHQIDF-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

1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846945
1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene
CID 107086769
1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene
CID 107086782
5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 114846926
4-chloro-2-(2,3-dimethylphenoxy)benzonitrile
CID 63511378
4-(chloromethyl)-3-(2,3-dimethylphenoxy)pyridine
CID 105067641
4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene
CID 114846964
2-[5-chloro-2-(chloromethyl)phenoxy]-1-methyl-4-propan-2-ylbenzene
CID 114847049
4-chloro-2-(2,3-dimethylphenoxy)benzenecarbothioamide
CID 63518061
N-[[5-chloro-2-(2,3-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 114855397
4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene
CID 114846971
1-[5-bromo-2-(bromomethyl)phenoxy]-2,3-dimethylbenzene
CID 107086768

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene?
The IUPAC name of 1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene (CID 114846944) is 1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene?
The canonical SMILES for 1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene is Cc1cccc(Oc2cc(Cl)ccc2CCl)c1C.
What is the InChIKey of 1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene?
The InChIKey is KBTKMCAIFHQIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c1-10-4-3-5-14(11(10)2)18-15-8-13(17)7-6-12(15)9-16/h3-8H,9H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene?
1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene 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-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene is sourced from PubChem (CID 114846944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).