1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene

C16H16Cl2 — CID 106862883

IUPAC1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Cl)c2ccc(C)cc2Cl)c(C)c1
InChIInChI=1S/C16H16Cl2/c1-10-4-6-13(12(3)8-10)16(18)14-7-5-11(2)9-15(14)17/h4-9,16H,1-3H3
InChIKeyDBFSNQGLUCRVTG-UHFFFAOYSA-N
MW279.21 g/mol
LogP5.59
Rot. Bonds2

About 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene

1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene (PubChem CID 106862883) has the molecular formula C16H16Cl2 and a molecular weight of 279.21 g/mol. Its IUPAC name is 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene
PubChem CID106862883
Molecular FormulaC16H16Cl2
Molecular Weight279.21 g/mol
Exact Mass278.06
IUPAC Name1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Cl)c2ccc(C)cc2Cl)c(C)c1
InChIInChI=1S/C16H16Cl2/c1-10-4-6-13(12(3)8-10)16(18)14-7-5-11(2)9-15(14)17/h4-9,16H,1-3H3
InChIKeyDBFSNQGLUCRVTG-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.21
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050811
1-[chloro-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
CID 106863171
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene
CID 82771221
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 106863202
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene
CID 79592602
2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene
CID 106862844
1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 63428656
1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene
CID 63429818
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene
CID 114024870
2-chloro-5-[chloro-(2-chloro-4-methylphenyl)methyl]-3-methylthiophene
CID 106863306
1-[chloro-(2,4-dimethylphenyl)methyl]-2-fluoro-3-methylbenzene
CID 81477595
1,4-dichloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]-5-ethoxybenzene
CID 106863254

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene (CID 106862883) is 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene is Cc1ccc(C(Cl)c2ccc(C)cc2Cl)c(C)c1.
What is the InChIKey of 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene?
The InChIKey is DBFSNQGLUCRVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2/c1-10-4-6-13(12(3)8-10)16(18)14-7-5-11(2)9-15(14)17/h4-9,16H,1-3H3.
What are the key properties of 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene?
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene has a molecular weight of 279.21 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene is sourced from PubChem (CID 106862883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).