2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene

C14H11Cl3 — CID 63429095

IUPAC2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
SMILESCc1ccc(C(Cl)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C14H11Cl3/c1-9-2-3-11(8-13(9)16)14(17)10-4-6-12(15)7-5-10/h2-8,14H,1H3
InChIKeyKQZAPPDORNQYIJ-UHFFFAOYSA-N
MW285.60 g/mol
LogP5.63
Rot. Bonds2

About 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene

2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene (PubChem CID 63429095) has the molecular formula C14H11Cl3 and a molecular weight of 285.60 g/mol. Its IUPAC name is 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene.

Molecular Properties

Compound Name2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
PubChem CID63429095
Molecular FormulaC14H11Cl3
Molecular Weight285.60 g/mol
Exact Mass283.99
IUPAC Name2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
SMILESCc1ccc(C(Cl)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C14H11Cl3/c1-9-2-3-11(8-13(9)16)14(17)10-4-6-12(15)7-5-10/h2-8,14H,1H3
InChIKeyKQZAPPDORNQYIJ-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.60
LogP ≤ 55.63
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

4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 82891392
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene
CID 103210535
2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene
CID 113425550
1-chloro-2-[chloro-(3-chloro-4-methylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050182
1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene
CID 113319612
4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene
CID 63432141
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene
CID 81476163
4-[bromo-(3-chloro-4-methylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747074
1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene
CID 107991387
5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429924
2-chloro-2-(3-chloro-4-methylphenyl)acetonitrile
CID 106818229

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene?
The IUPAC name of 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene (CID 63429095) is 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene.
What is the SMILES notation for 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene?
The canonical SMILES for 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene is Cc1ccc(C(Cl)c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene?
The InChIKey is KQZAPPDORNQYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3/c1-9-2-3-11(8-13(9)16)14(17)10-4-6-12(15)7-5-10/h2-8,14H,1H3.
What are the key properties of 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene?
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene has a molecular weight of 285.60 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene is sourced from PubChem (CID 63429095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).