1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene

C15H14Cl2 — CID 11832317

IUPAC1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene
SMILESCc1ccc(C(Cl)(Cl)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H14Cl2/c1-11-3-7-13(8-4-11)15(16,17)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyGGSDEIZUHWRYDK-UHFFFAOYSA-N
MW265.18 g/mol
LogP4.98
Rot. Bonds2

About 1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene

1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene (PubChem CID 11832317) has the molecular formula C15H14Cl2 and a molecular weight of 265.18 g/mol. Its IUPAC name is 1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene
PubChem CID11832317
Molecular FormulaC15H14Cl2
Molecular Weight265.18 g/mol
Exact Mass264.05
IUPAC Name1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene
SMILESCc1ccc(C(Cl)(Cl)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H14Cl2/c1-11-3-7-13(8-4-11)15(16,17)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyGGSDEIZUHWRYDK-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene?
The IUPAC name of 1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene (CID 11832317) is 1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene.
What is the SMILES notation for 1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene?
The canonical SMILES for 1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene is Cc1ccc(C(Cl)(Cl)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene?
The InChIKey is GGSDEIZUHWRYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2/c1-11-3-7-13(8-4-11)15(16,17)14-9-5-12(2)6-10-14/h3-10H,1-2H3.
What are the key properties of 1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene?
1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene has a molecular weight of 265.18 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene is sourced from PubChem (CID 11832317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).