4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene

C19H22Cl2 — CID 138716717

IUPAC4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene
SMILESCC(Cc1ccc(C(C)(C)C)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2/c1-13(14-6-9-17(20)10-7-14)11-15-5-8-16(12-18(15)21)19(2,3)4/h5-10,12-13H,11H2,1-4H3
InChIKeySGGMISHJCFGLGC-UHFFFAOYSA-N
MW321.29 g/mol
LogP6.64
Rot. Bonds3

About 4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene

4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene (PubChem CID 138716717) has the molecular formula C19H22Cl2 and a molecular weight of 321.29 g/mol. Its IUPAC name is 4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene.

Molecular Properties

Compound Name4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene
PubChem CID138716717
Molecular FormulaC19H22Cl2
Molecular Weight321.29 g/mol
Exact Mass320.11
IUPAC Name4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene
SMILESCC(Cc1ccc(C(C)(C)C)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2/c1-13(14-6-9-17(20)10-7-14)11-15-5-8-16(12-18(15)21)19(2,3)4/h5-10,12-13H,11H2,1-4H3
InChIKeySGGMISHJCFGLGC-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.29
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene 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

4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene
CID 118359640
1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene
CID 155445804
1-[(5-tert-butyl-2-methylphenyl)sulfanylmethyl]-2,4-dichlorobenzene
CID 4295592
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
1-[2-(bromomethyl)-3,3-dimethylbutyl]-2,4-dichlorobenzene
CID 83142051
1-tert-butyl-4-[chloro-(4-chlorophenyl)methyl]benzene
CID 63429016
1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene
CID 79433622
2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79442168
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
CID 62395202
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250
1-(2,4-dichlorophenyl)-3,3-dimethylpentan-2-amine
CID 115840191

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene?
The IUPAC name of 4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene (CID 138716717) is 4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene.
What is the SMILES notation for 4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene?
The canonical SMILES for 4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene is CC(Cc1ccc(C(C)(C)C)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene?
The InChIKey is SGGMISHJCFGLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2/c1-13(14-6-9-17(20)10-7-14)11-15-5-8-16(12-18(15)21)19(2,3)4/h5-10,12-13H,11H2,1-4H3.
What are the key properties of 4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene?
4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene has a molecular weight of 321.29 g/mol, XLogP of 6.64, 3 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-[2-(4-chlorophenyl)propyl]benzene is sourced from PubChem (CID 138716717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).