4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene

C14H21Cl — CID 118359640

IUPAC4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C14H21Cl/c1-10(2)8-11-6-7-12(9-13(11)15)14(3,4)5/h6-7,9-10H,8H2,1-5H3
InChIKeyFZNIPJQKRNJWGD-UHFFFAOYSA-N
MW224.77 g/mol
LogP4.84
Rot. Bonds2

About 4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene

4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene (PubChem CID 118359640) has the molecular formula C14H21Cl and a molecular weight of 224.77 g/mol. Its IUPAC name is 4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene.

Molecular Properties

Compound Name4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene
PubChem CID118359640
Molecular FormulaC14H21Cl
Molecular Weight224.77 g/mol
Exact Mass224.13
IUPAC Name4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C14H21Cl/c1-10(2)8-11-6-7-12(9-13(11)15)14(3,4)5/h6-7,9-10H,8H2,1-5H3
InChIKeyFZNIPJQKRNJWGD-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.77
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-tert-butyl-2-chloro-1-(2-methylpropyl)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-(4-chlorophenyl)propyl]benzene
CID 138716717
3-chloro-4-(2-methylpropyl)benzaldehyde
CID 86715140
4-tert-butyl-2-chloro-N-propan-2-ylaniline
CID 135235361
1-(4-bromo-2-chlorophenyl)-3,4,4-trimethylpentan-2-ol
CID 114270641
[1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 105424377
1,4-ditert-butyl-2-chlorobenzene;methane
CID 161178339
1-bromo-4-tert-butyl-2-(2-methylpropyl)benzene;1-tert-butyl-3-(2-methylpropyl)benzene
CID 163429812
2-(3-chloro-4-ethylphenyl)-2-methylpropan-1-amine
CID 105424639
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
CID 62395202
1-[(5-tert-butyl-2-methylphenyl)sulfanylmethyl]-2,4-dichlorobenzene
CID 4295592
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 63497978
[(4-tert-butyl-2-chlorophenyl)methyl-methoxyamino]phosphonic acid
CID 172798184

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene?
The IUPAC name of 4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene (CID 118359640) is 4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene.
What is the SMILES notation for 4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene?
The canonical SMILES for 4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene is CC(C)Cc1ccc(C(C)(C)C)cc1Cl.
What is the InChIKey of 4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene?
The InChIKey is FZNIPJQKRNJWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl/c1-10(2)8-11-6-7-12(9-13(11)15)14(3,4)5/h6-7,9-10H,8H2,1-5H3.
What are the key properties of 4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene?
4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene has a molecular weight of 224.77 g/mol, XLogP of 4.84, 2 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-methylpropyl)benzene is sourced from PubChem (CID 118359640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).