1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene

C23H32 — CID 101326643

IUPAC1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene
SMILESCC(Cc1cccc(C(C)(C)C)c1)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C23H32/c1-17(19-11-9-13-21(16-19)23(5,6)7)14-18-10-8-12-20(15-18)22(2,3)4/h8-13,15-17H,14H2,1-7H3
InChIKeyAGWQSOBPNNJKMH-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.63
Rot. Bonds3

About 1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene

1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene (PubChem CID 101326643) 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)propan-2-yl]benzene.

Molecular Properties

Compound Name1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene
PubChem CID101326643
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene
SMILESCC(Cc1cccc(C(C)(C)C)c1)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C23H32/c1-17(19-11-9-13-21(16-19)23(5,6)7)14-18-10-8-12-20(15-18)22(2,3)4/h8-13,15-17H,14H2,1-7H3
InChIKeyAGWQSOBPNNJKMH-UHFFFAOYSA-N
XLogP6.63
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 ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-ditert-butyl-4-[1-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326761
CID 23527699
CID 23527699
3-(3-tert-butylphenyl)-2-methylpropan-1-ol
CID 53466403
2-(3-tert-butylphenyl)propyl-dimethylsilane
CID 157076830
1-ethyl-3-(1-phenylpropan-2-yl)benzene
CID 91139007
4-(3-tert-butylphenyl)pentan-1-amine
CID 66582210
1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene
CID 91289654
2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline
CID 160845478
1-propan-2-yl-3-[(2S)-2-[3-[2-[4-(trifluoromethyl)phenyl]propyl]phenyl]propyl]benzene
CID 178057958
1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene
CID 101326642
1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine
CID 69374582
1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene
CID 101326632

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene?
The IUPAC name of 1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene (CID 101326643) is 1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene is CC(Cc1cccc(C(C)(C)C)c1)c1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene?
The InChIKey is AGWQSOBPNNJKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-17(19-11-9-13-21(16-19)23(5,6)7)14-18-10-8-12-20(15-18)22(2,3)4/h8-13,15-17H,14H2,1-7H3.
What are the key properties of 1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene?
1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene has a molecular weight of 308.51 g/mol, XLogP of 6.63, 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)propan-2-yl]benzene is sourced from PubChem (CID 101326643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).