ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene

C20H26Cl4 — CID 90984706

IUPACethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene
SMILESCC.CC.Cc1ccc(C(Cl)(Cl)C(Cl)(Cl)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H14Cl4.2C2H6/c1-11-3-7-13(8-4-11)15(17,18)16(19,20)14-9-5-12(2)6-10-14;2*1-2/h3-10H,1-2H3;2*1-2H3
InChIKeyZQCQBTGZEVJKHH-UHFFFAOYSA-N
MW408.24 g/mol
LogP8.32
Rot. Bonds3

About ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene

ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene (PubChem CID 90984706) has the molecular formula C20H26Cl4 and a molecular weight of 408.24 g/mol. Its IUPAC name is ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene
PubChem CID90984706
Molecular FormulaC20H26Cl4
Molecular Weight408.24 g/mol
Exact Mass406.08
IUPAC Nameethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene
SMILESCC.CC.Cc1ccc(C(Cl)(Cl)C(Cl)(Cl)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H14Cl4.2C2H6/c1-11-3-7-13(8-4-11)15(17,18)16(19,20)14-9-5-12(2)6-10-14;2*1-2/h3-10H,1-2H3;2*1-2H3
InChIKeyZQCQBTGZEVJKHH-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.24
LogP ≤ 58.32
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-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene
CID 11832317
1-[dichloro(fluoro)methyl]-4-methylbenzene
CID 70232782
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1,1,1,2,2,2-hexachloroethane;1,4-xylene
CID 174736930
1-tert-butyl-4-methylbenzene
CID 163486601
1-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene
CID 624097
dichloro(difluoro)methane;1,4-xylene
CID 161479390
N-[dichloro-(4-methylphenyl)methyl]hydroxylamine
CID 150826987
chloro-[1-chloro-1-(4-methylphenyl)ethyl]silane
CID 151507407
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867
1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 14938913
ethane;methanol;1,4-xylene
CID 171074418

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene?
The IUPAC name of ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene (CID 90984706) is ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene.
What is the SMILES notation for ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene?
The canonical SMILES for ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene is CC.CC.Cc1ccc(C(Cl)(Cl)C(Cl)(Cl)c2ccc(C)cc2)cc1.
What is the InChIKey of ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene?
The InChIKey is ZQCQBTGZEVJKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl4.2C2H6/c1-11-3-7-13(8-4-11)15(17,18)16(19,20)14-9-5-12(2)6-10-14;2*1-2/h3-10H,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene?
ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene has a molecular weight of 408.24 g/mol, XLogP of 8.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene is sourced from PubChem (CID 90984706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).