1-tert-butyl-2,5-dichloro-4-methylbenzene

C11H14Cl2 — CID 14418830

IUPAC1-tert-butyl-2,5-dichloro-4-methylbenzene
SMILESCc1cc(Cl)c(C(C)(C)C)cc1Cl
InChIInChI=1S/C11H14Cl2/c1-7-5-10(13)8(6-9(7)12)11(2,3)4/h5-6H,1-4H3
InChIKeyDGLFHCAXYBQVIQ-UHFFFAOYSA-N
MW217.14 g/mol
LogP4.60
Rot. Bonds

About 1-tert-butyl-2,5-dichloro-4-methylbenzene

1-tert-butyl-2,5-dichloro-4-methylbenzene (PubChem CID 14418830) has the molecular formula C11H14Cl2 and a molecular weight of 217.14 g/mol. Its IUPAC name is 1-tert-butyl-2,5-dichloro-4-methylbenzene.

Molecular Properties

Compound Name1-tert-butyl-2,5-dichloro-4-methylbenzene
PubChem CID14418830
Molecular FormulaC11H14Cl2
Molecular Weight217.14 g/mol
Exact Mass216.05
IUPAC Name1-tert-butyl-2,5-dichloro-4-methylbenzene
SMILESCc1cc(Cl)c(C(C)(C)C)cc1Cl
InChIInChI=1S/C11H14Cl2/c1-7-5-10(13)8(6-9(7)12)11(2,3)4/h5-6H,1-4H3
InChIKeyDGLFHCAXYBQVIQ-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,5-dichloro-4-methylbenzene?
The IUPAC name of 1-tert-butyl-2,5-dichloro-4-methylbenzene (CID 14418830) is 1-tert-butyl-2,5-dichloro-4-methylbenzene.
What is the SMILES notation for 1-tert-butyl-2,5-dichloro-4-methylbenzene?
The canonical SMILES for 1-tert-butyl-2,5-dichloro-4-methylbenzene is Cc1cc(Cl)c(C(C)(C)C)cc1Cl.
What is the InChIKey of 1-tert-butyl-2,5-dichloro-4-methylbenzene?
The InChIKey is DGLFHCAXYBQVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2/c1-7-5-10(13)8(6-9(7)12)11(2,3)4/h5-6H,1-4H3.
What are the key properties of 1-tert-butyl-2,5-dichloro-4-methylbenzene?
1-tert-butyl-2,5-dichloro-4-methylbenzene has a molecular weight of 217.14 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,5-dichloro-4-methylbenzene is sourced from PubChem (CID 14418830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).