4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene

C20H25Cl — CID 176593095

IUPAC4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene
SMILESCC(C)(C)c1ccc(-c2cc(C(C)(C)C)ccc2Cl)cc1
InChIInChI=1S/C20H25Cl/c1-19(2,3)15-9-7-14(8-10-15)17-13-16(20(4,5)6)11-12-18(17)21/h7-13H,1-6H3
InChIKeyLDKIXBBRKIELGV-UHFFFAOYSA-N
MW300.87 g/mol
LogP6.60
Rot. Bonds1

About 4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene

4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene (PubChem CID 176593095) has the molecular formula C20H25Cl and a molecular weight of 300.87 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene.

Molecular Properties

Compound Name4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene
PubChem CID176593095
Molecular FormulaC20H25Cl
Molecular Weight300.87 g/mol
Exact Mass300.16
IUPAC Name4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene
SMILESCC(C)(C)c1ccc(-c2cc(C(C)(C)C)ccc2Cl)cc1
InChIInChI=1S/C20H25Cl/c1-19(2,3)15-9-7-14(8-10-15)17-13-16(20(4,5)6)11-12-18(17)21/h7-13H,1-6H3
InChIKeyLDKIXBBRKIELGV-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.87
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene?
The IUPAC name of 4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene (CID 176593095) is 4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene.
What is the SMILES notation for 4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene?
The canonical SMILES for 4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene is CC(C)(C)c1ccc(-c2cc(C(C)(C)C)ccc2Cl)cc1.
What is the InChIKey of 4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene?
The InChIKey is LDKIXBBRKIELGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl/c1-19(2,3)15-9-7-14(8-10-15)17-13-16(20(4,5)6)11-12-18(17)21/h7-13H,1-6H3.
What are the key properties of 4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene?
4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene has a molecular weight of 300.87 g/mol, XLogP of 6.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene is sourced from PubChem (CID 176593095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).