1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene

C23H32 — CID 101326642

IUPAC1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene
SMILESCCC(c1cccc(C(C)(C)C)c1)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C23H32/c1-8-21(17-11-9-13-19(15-17)22(2,3)4)18-12-10-14-20(16-18)23(5,6)7/h9-16,21H,8H2,1-7H3
InChIKeyXFHXFARVGFLSJS-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.82
Rot. Bonds3

About 1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene

1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene (PubChem CID 101326642) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene
PubChem CID101326642
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene
SMILESCCC(c1cccc(C(C)(C)C)c1)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C23H32/c1-8-21(17-11-9-13-19(15-17)22(2,3)4)18-12-10-14-20(16-18)23(5,6)7/h9-16,21H,8H2,1-7H3
InChIKeyXFHXFARVGFLSJS-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-ditert-butyl-2-[1-(3-tert-butylphenyl)propyl]benzene
CID 101326743
2-(3-tert-butylphenyl)butanenitrile
CID 139769184
1-tert-butyl-3-(diethoxymethyl)benzene
CID 146004634
CID 23527699
CID 23527699
1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326643
2-(3-tert-butylphenyl)propyl-dimethylsilane
CID 157076830
(1R)-1-(3-tert-butylphenyl)-N-methylethanamine
CID 131209247
1-(3-tert-butylphenyl)-N-chloroethanamine
CID 123238023
2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole
CID 90932009
alumane;1,3-ditert-butylbenzene
CID 174392215
(1S)-1-(3-tert-butylphenyl)-2,2,2-trifluoroethanamine
CID 66510224
3-[1-(3-tert-butylphenyl)ethyl]benzoic acid
CID 175005930

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene?
The IUPAC name of 1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene (CID 101326642) is 1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene.
What is the SMILES notation for 1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene?
The canonical SMILES for 1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene is CCC(c1cccc(C(C)(C)C)c1)c1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene?
The InChIKey is XFHXFARVGFLSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-8-21(17-11-9-13-19(15-17)22(2,3)4)18-12-10-14-20(16-18)23(5,6)7/h9-16,21H,8H2,1-7H3.
What are the key properties of 1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene?
1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene has a molecular weight of 308.51 g/mol, XLogP of 6.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene is sourced from PubChem (CID 101326642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).