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

C14H11Cl3 — CID 82891392

IUPAC4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
SMILESCc1ccc(Cl)cc1C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl3/c1-9-2-5-12(16)8-13(9)14(17)10-3-6-11(15)7-4-10/h2-8,14H,1H3
InChIKeyINSGNNIXFOUVSA-UHFFFAOYSA-N
MW285.60 g/mol
LogP5.63
Rot. Bonds2

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

4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene (PubChem CID 82891392) has the molecular formula C14H11Cl3 and a molecular weight of 285.60 g/mol. Its IUPAC name is 4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene.

Molecular Properties

Compound Name4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
PubChem CID82891392
Molecular FormulaC14H11Cl3
Molecular Weight285.60 g/mol
Exact Mass283.99
IUPAC Name4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
SMILESCc1ccc(Cl)cc1C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl3/c1-9-2-5-12(16)8-13(9)14(17)10-3-6-11(15)7-4-10/h2-8,14H,1H3
InChIKeyINSGNNIXFOUVSA-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-ethylphenyl)methyl]-1-methylbenzene
CID 82890709
5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83067906
1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene
CID 113319612
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 63429095
4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427370
5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 82890400
1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
CID 82890318
2-chloro-5-[chloro-(5-chloro-2-methylphenyl)methyl]-3-methylthiophene
CID 102764694
2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene
CID 63431490
2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene
CID 113425550
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene?
The IUPAC name of 4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene (CID 82891392) is 4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene.
What is the SMILES notation for 4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene?
The canonical SMILES for 4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene is Cc1ccc(Cl)cc1C(Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene?
The InChIKey is INSGNNIXFOUVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3/c1-9-2-5-12(16)8-13(9)14(17)10-3-6-11(15)7-4-10/h2-8,14H,1H3.
What are the key properties of 4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene?
4-chloro-2-[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 4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene is sourced from PubChem (CID 82891392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).