4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene

C15H14Cl2O — CID 114846964

IUPAC4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene
SMILESCc1ccc(Oc2cc(Cl)ccc2CCl)cc1C
InChIInChI=1S/C15H14Cl2O/c1-10-3-6-14(7-11(10)2)18-15-8-13(17)5-4-12(15)9-16/h3-8H,9H2,1-2H3
InChIKeyGMAXDEIRAAXRRZ-UHFFFAOYSA-N
MW281.18 g/mol
LogP5.49
Rot. Bonds3

About 4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene

4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene (PubChem CID 114846964) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene.

Molecular Properties

Compound Name4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene
PubChem CID114846964
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene
SMILESCc1ccc(Oc2cc(Cl)ccc2CCl)cc1C
InChIInChI=1S/C15H14Cl2O/c1-10-3-6-14(7-11(10)2)18-15-8-13(17)5-4-12(15)9-16/h3-8H,9H2,1-2H3
InChIKeyGMAXDEIRAAXRRZ-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-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 44562943
5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 114846926
4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene
CID 114846971
2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene
CID 114064510
1-bromo-4-[2-(bromomethyl)-5-chlorophenoxy]-2-methylbenzene
CID 107089078
1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846944
2-[5-chloro-2-(chloromethyl)phenoxy]-1-methyl-4-propan-2-ylbenzene
CID 114847049
[4-chloro-2-(4-chlorophenoxy)phenyl]methanol
CID 86078233
4-bromo-1-(chloromethyl)-2-(4-chlorophenoxy)benzene
CID 43174130
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine
CID 105067739

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene?
The IUPAC name of 4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene (CID 114846964) is 4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene.
What is the SMILES notation for 4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene?
The canonical SMILES for 4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene is Cc1ccc(Oc2cc(Cl)ccc2CCl)cc1C.
What is the InChIKey of 4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene?
The InChIKey is GMAXDEIRAAXRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c1-10-3-6-14(7-11(10)2)18-15-8-13(17)5-4-12(15)9-16/h3-8H,9H2,1-2H3.
What are the key properties of 4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene?
4-chloro-1-(chloromethyl)-2-(3,4-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 4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene is sourced from PubChem (CID 114846964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).