2-tert-butyl-1,4-dichlorobenzene

C10H12Cl2 — CID 18533300

IUPAC2-tert-butyl-1,4-dichlorobenzene
SMILESCC(C)(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3
InChIKeyUJHCCJXBXPHJON-UHFFFAOYSA-N
MW203.11 g/mol
LogP4.29
Rot. Bonds

About 2-tert-butyl-1,4-dichlorobenzene

2-tert-butyl-1,4-dichlorobenzene (PubChem CID 18533300) has the molecular formula C10H12Cl2 and a molecular weight of 203.11 g/mol. Its IUPAC name is 2-tert-butyl-1,4-dichlorobenzene.

Molecular Properties

Compound Name2-tert-butyl-1,4-dichlorobenzene
PubChem CID18533300
Molecular FormulaC10H12Cl2
Molecular Weight203.11 g/mol
Exact Mass202.03
IUPAC Name2-tert-butyl-1,4-dichlorobenzene
SMILESCC(C)(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3
InChIKeyUJHCCJXBXPHJON-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,4-dichlorobenzene?
The IUPAC name of 2-tert-butyl-1,4-dichlorobenzene (CID 18533300) is 2-tert-butyl-1,4-dichlorobenzene.
What is the SMILES notation for 2-tert-butyl-1,4-dichlorobenzene?
The canonical SMILES for 2-tert-butyl-1,4-dichlorobenzene is CC(C)(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-tert-butyl-1,4-dichlorobenzene?
The InChIKey is UJHCCJXBXPHJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3.
What are the key properties of 2-tert-butyl-1,4-dichlorobenzene?
2-tert-butyl-1,4-dichlorobenzene has a molecular weight of 203.11 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,4-dichlorobenzene is sourced from PubChem (CID 18533300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).