2,4-ditert-butyl-1-(dichloromethyl)benzene

C15H22Cl2 — CID 164523790

IUPAC2,4-ditert-butyl-1-(dichloromethyl)benzene
SMILESCC(C)(C)c1ccc(C(Cl)Cl)c(C(C)(C)C)c1
InChIInChI=1S/C15H22Cl2/c1-14(2,3)10-7-8-11(13(16)17)12(9-10)15(4,5)6/h7-9,13H,1-6H3
InChIKeyRLSAPUCUTYHAOW-UHFFFAOYSA-N
MW273.25 g/mol
LogP5.76
Rot. Bonds1

About 2,4-ditert-butyl-1-(dichloromethyl)benzene

2,4-ditert-butyl-1-(dichloromethyl)benzene (PubChem CID 164523790) has the molecular formula C15H22Cl2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2,4-ditert-butyl-1-(dichloromethyl)benzene.

Molecular Properties

Compound Name2,4-ditert-butyl-1-(dichloromethyl)benzene
PubChem CID164523790
Molecular FormulaC15H22Cl2
Molecular Weight273.25 g/mol
Exact Mass272.11
IUPAC Name2,4-ditert-butyl-1-(dichloromethyl)benzene
SMILESCC(C)(C)c1ccc(C(Cl)Cl)c(C(C)(C)C)c1
InChIInChI=1S/C15H22Cl2/c1-14(2,3)10-7-8-11(13(16)17)12(9-10)15(4,5)6/h7-9,13H,1-6H3
InChIKeyRLSAPUCUTYHAOW-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.25
LogP ≤ 55.76
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

lithium;bis(2,4-ditert-butylphenyl)methyl dihydrogen phosphate;hydride
CID 173031664
(2,4-ditert-butylphenoxy)-dimethylphosphane
CID 19091733
sodium 2,4-ditert-butylphenolate
CID 23662446
1,4-ditert-butyl-2-chlorobenzene;methane
CID 161178339
bis(1-(2,4-ditert-butylphenyl)-2,2-bis(hydroxymethyl)propane-1,3-diol);dihydroxyphosphanyl dihydrogen phosphite
CID 158272519
tris[1-(2,4-ditert-butylphenyl)octyl] phosphite
CID 87455418
4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol
CID 70581973
[2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane
CID 134468917
[1-(2,4-ditert-butylphenyl)-3-dihydroxyphosphanyloxy-2,2-dimethylpropyl] dihydrogen phosphite
CID 23201164
6-[(2,4-ditert-butylphenyl)-hydroxymethyl]naphthalene-2-carboxylic acid
CID 18989929
bis(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane
CID 57116453
2-(5-tert-butyl-2-fluorophenyl)propan-2-ol
CID 155202615

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-1-(dichloromethyl)benzene?
The IUPAC name of 2,4-ditert-butyl-1-(dichloromethyl)benzene (CID 164523790) is 2,4-ditert-butyl-1-(dichloromethyl)benzene.
What is the SMILES notation for 2,4-ditert-butyl-1-(dichloromethyl)benzene?
The canonical SMILES for 2,4-ditert-butyl-1-(dichloromethyl)benzene is CC(C)(C)c1ccc(C(Cl)Cl)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-1-(dichloromethyl)benzene?
The InChIKey is RLSAPUCUTYHAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2/c1-14(2,3)10-7-8-11(13(16)17)12(9-10)15(4,5)6/h7-9,13H,1-6H3.
What are the key properties of 2,4-ditert-butyl-1-(dichloromethyl)benzene?
2,4-ditert-butyl-1-(dichloromethyl)benzene has a molecular weight of 273.25 g/mol, XLogP of 5.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-1-(dichloromethyl)benzene is sourced from PubChem (CID 164523790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).