4-Tert-butyl-2-chloro-1-methylbenzene

HCID 524337
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Basic information

Standard SMILES
Cc1ccc(C(C)(C)C)cc1Cl
InChIKey
GPHQXTFRTJKHPI-UHFFFAOYSA-N
Molecular formula
C11H15Cl
Average molar mass
182.69 g/mol
Monoisotopic mass
182.0862282

Names & identifiers

Preferred name
4-Tert-butyl-2-chloro-1-methylbenzene
IUPAC
4-tert-butyl-2-chloro-1-methylbenzene

Names & synonyms

Benzene, 2-chloro-1-methyl-4-(1,1-dimethylethyl)42597-10-42-chloro-4-(1,1-dimethylethyl)-1-methylbenzene4-tert-butyl-2-chloro-1-methylbenzene4-t-butyl-2-chlorotolueneSCHEMBL799977DB-1925164-(1,1-Demethylethyl)-1-methyl-2-chlorobenzol

Database identifiers

PubChem CID
524337
Nikkaji
J1.529.702F

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
12

Experimental & physicochemical properties

Kovats Retention Index1262

Related reactions

4 records
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Compound notes

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