1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane

C23H34 — CID 144989068

IUPAC1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
SMILESCC.CC(C)(C)c1ccc(Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H28.C2H6/c1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6;1-2/h7-14H,15H2,1-6H3;1-2H3
InChIKeyIDNVHHPGNRCMTH-UHFFFAOYSA-N
MW310.53 g/mol
LogP6.90
Rot. Bonds2

About 1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane

1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane (PubChem CID 144989068) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane.

Molecular Properties

Compound Name1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
PubChem CID144989068
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Name1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
SMILESCC.CC(C)(C)c1ccc(Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H28.C2H6/c1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6;1-2/h7-14H,15H2,1-6H3;1-2H3
InChIKeyIDNVHHPGNRCMTH-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetradeuteriobenzene
CID 163449153
1-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentadeuteriobenzene
CID 132540823
4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane
CID 143086936
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
1-tert-butyl-4-ethylbenzene
CID 157359507
CID 162424412
CID 162424412
4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline
CID 160813980
1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene
CID 82255100
1-bromo-2-[(4-tert-butylphenyl)methyl]benzene
CID 171716628
1-(4-tert-butylphenyl)propane-2,2-diol
CID 175500089

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane?
The IUPAC name of 1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane (CID 144989068) is 1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane.
What is the SMILES notation for 1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane?
The canonical SMILES for 1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane is CC.CC(C)(C)c1ccc(Cc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane?
The InChIKey is IDNVHHPGNRCMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28.C2H6/c1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6;1-2/h7-14H,15H2,1-6H3;1-2H3.
What are the key properties of 1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane?
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane has a molecular weight of 310.53 g/mol, XLogP of 6.90, 2 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-tert-butylphenyl)methyl]benzene;ethane is sourced from PubChem (CID 144989068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).