1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene

C19H22BrCl — CID 79433622

IUPAC1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene
SMILESCC(C)(C)c1ccc(CC(CBr)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22BrCl/c1-19(2,3)17-8-4-14(5-9-17)12-16(13-20)15-6-10-18(21)11-7-15/h4-11,16H,12-13H2,1-3H3
InChIKeyDRWZFKCMLCDUGD-UHFFFAOYSA-N
MW365.74 g/mol
LogP6.36
Rot. Bonds4

About 1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene

1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene (PubChem CID 79433622) has the molecular formula C19H22BrCl and a molecular weight of 365.74 g/mol. Its IUPAC name is 1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene
PubChem CID79433622
Molecular FormulaC19H22BrCl
Molecular Weight365.74 g/mol
Exact Mass364.06
IUPAC Name1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene
SMILESCC(C)(C)c1ccc(CC(CBr)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22BrCl/c1-19(2,3)17-8-4-14(5-9-17)12-16(13-20)15-6-10-18(21)11-7-15/h4-11,16H,12-13H2,1-3H3
InChIKeyDRWZFKCMLCDUGD-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.74
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol
CID 63410107
1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene
CID 79433390
1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene
CID 79435525
1-[2-(bromomethyl)-3-(4-chlorophenyl)propyl]-4-propan-2-ylbenzene
CID 66041082
1-tert-butyl-4-[chloro-(4-chlorophenyl)methyl]benzene
CID 63429016
1-[3-bromo-2-(3-chlorophenyl)propyl]-4-(trifluoromethyl)benzene
CID 79432715
1-[3-bromo-2-(3-chlorophenyl)propyl]-4-propan-2-ylbenzene
CID 79432003
1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene
CID 79434869
3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973688
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
CID 79434327

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene?
The IUPAC name of 1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene (CID 79433622) is 1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene.
What is the SMILES notation for 1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene?
The canonical SMILES for 1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene is CC(C)(C)c1ccc(CC(CBr)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene?
The InChIKey is DRWZFKCMLCDUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrCl/c1-19(2,3)17-8-4-14(5-9-17)12-16(13-20)15-6-10-18(21)11-7-15/h4-11,16H,12-13H2,1-3H3.
What are the key properties of 1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene?
1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene has a molecular weight of 365.74 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene is sourced from PubChem (CID 79433622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).