4-tert-butyl-2-chloro-1-methylbenzene

C11H15Cl — CID 524337

IUPAC4-tert-butyl-2-chloro-1-methylbenzene
SMILESCc1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C11H15Cl/c1-8-5-6-9(7-10(8)12)11(2,3)4/h5-7H,1-4H3
InChIKeyGPHQXTFRTJKHPI-UHFFFAOYSA-N
MW182.69 g/mol
LogP3.95
Rot. Bonds

About 4-tert-butyl-2-chloro-1-methylbenzene

4-tert-butyl-2-chloro-1-methylbenzene (PubChem CID 524337) has the molecular formula C11H15Cl and a molecular weight of 182.69 g/mol. Its IUPAC name is 4-tert-butyl-2-chloro-1-methylbenzene.

Molecular Properties

Compound Name4-tert-butyl-2-chloro-1-methylbenzene
PubChem CID524337
Molecular FormulaC11H15Cl
Molecular Weight182.69 g/mol
Exact Mass182.09
IUPAC Name4-tert-butyl-2-chloro-1-methylbenzene
SMILESCc1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C11H15Cl/c1-8-5-6-9(7-10(8)12)11(2,3)4/h5-7H,1-4H3
InChIKeyGPHQXTFRTJKHPI-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.69
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chloro-1-methylbenzene?
The IUPAC name of 4-tert-butyl-2-chloro-1-methylbenzene (CID 524337) is 4-tert-butyl-2-chloro-1-methylbenzene.
What is the SMILES notation for 4-tert-butyl-2-chloro-1-methylbenzene?
The canonical SMILES for 4-tert-butyl-2-chloro-1-methylbenzene is Cc1ccc(C(C)(C)C)cc1Cl.
What is the InChIKey of 4-tert-butyl-2-chloro-1-methylbenzene?
The InChIKey is GPHQXTFRTJKHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl/c1-8-5-6-9(7-10(8)12)11(2,3)4/h5-7H,1-4H3.
What are the key properties of 4-tert-butyl-2-chloro-1-methylbenzene?
4-tert-butyl-2-chloro-1-methylbenzene has a molecular weight of 182.69 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chloro-1-methylbenzene is sourced from PubChem (CID 524337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).