1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene

C15H23Cl — CID 64665458

IUPAC1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene
SMILESCC(CCl)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23Cl/c1-12(11-16)5-6-13-7-9-14(10-8-13)15(2,3)4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyRRTBVDOVAHHVQN-UHFFFAOYSA-N
MW238.80 g/mol
LogP4.79
Rot. Bonds4

About 1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene

1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene (PubChem CID 64665458) has the molecular formula C15H23Cl and a molecular weight of 238.80 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene
PubChem CID64665458
Molecular FormulaC15H23Cl
Molecular Weight238.80 g/mol
Exact Mass238.15
IUPAC Name1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene
SMILESCC(CCl)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23Cl/c1-12(11-16)5-6-13-7-9-14(10-8-13)15(2,3)4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyRRTBVDOVAHHVQN-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.80
LogP ≤ 54.79
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

4-(4-tert-butylphenyl)-2-methylbutan-1-ol
CID 64666507
4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine
CID 19885160
4-(4-tert-butylphenyl)-N-ethylbutan-2-amine
CID 60995834
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515
4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane
CID 161393125
2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 64666701
6-(4-tert-butylphenyl)-2-methylhexan-3-amine
CID 64504626
1-tert-butyl-4-[2-(chloromethyl)pentyl]benzene
CID 66034313
3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine
CID 55202631
3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine
CID 66258058
1-(4-tert-butylphenyl)-4-phenylbutan-2-amine
CID 63417179
1-(4-bromo-5,5-dimethylhexyl)-4-tert-butylbenzene
CID 64509236

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene?
The IUPAC name of 1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene (CID 64665458) is 1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene is CC(CCl)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene?
The InChIKey is RRTBVDOVAHHVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl/c1-12(11-16)5-6-13-7-9-14(10-8-13)15(2,3)4/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene?
1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene has a molecular weight of 238.80 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene is sourced from PubChem (CID 64665458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).