1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane

C23H36 — CID 159065709

IUPAC1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
SMILESCC.CC.CC(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H24.2C2H6/c1-14(2)15-6-8-16(9-7-15)17-10-12-18(13-11-17)19(3,4)5;2*1-2/h6-14H,1-5H3;2*1-2H3
InChIKeyJZAHTPLYVWOVSD-UHFFFAOYSA-N
MW312.54 g/mol
LogP7.83
Rot. Bonds2

About 1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane

1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane (PubChem CID 159065709) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane.

Molecular Properties

Compound Name1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
PubChem CID159065709
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Name1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
SMILESCC.CC.CC(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H24.2C2H6/c1-14(2)15-6-8-16(9-7-15)17-10-12-18(13-11-17)19(3,4)5;2*1-2/h6-14H,1-5H3;2*1-2H3
InChIKeyJZAHTPLYVWOVSD-UHFFFAOYSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane
CID 143781317
1-[bromo-(4-tert-butylphenyl)methyl]-4-propan-2-ylbenzene
CID 63439847
1-tert-butyl-4-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 63431525
4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 172537053
4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline
CID 159098824
5-(4-tert-butylphenyl)-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene
CID 162426455
1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene
CID 57430781
1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene
CID 79837730
2,3,6,7,10,11-hexakis(3-phenylphenyl)triphenylene;2,3,6,7,10,11-hexakis-phenyltriphenylene;2,3,6,7,10-pentakis(4-tert-butylphenyl)-11-(4-propan-2-ylphenyl)triphenylene
CID 162246061
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene
CID 162426419
2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride
CID 122163896

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane?
The IUPAC name of 1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane (CID 159065709) is 1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane.
What is the SMILES notation for 1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane?
The canonical SMILES for 1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane is CC.CC.CC(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane?
The InChIKey is JZAHTPLYVWOVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24.2C2H6/c1-14(2)15-6-8-16(9-7-15)17-10-12-18(13-11-17)19(3,4)5;2*1-2/h6-14H,1-5H3;2*1-2H3.
What are the key properties of 1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane?
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane has a molecular weight of 312.54 g/mol, XLogP of 7.83, 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-propan-2-ylphenyl)benzene;ethane is sourced from PubChem (CID 159065709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).