1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene

C28H42O — CID 56617676

IUPAC1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene
SMILESCC(C)(C)c1ccc(C(C)(C)COCC(C)(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H42O/c1-25(2,3)21-11-15-23(16-12-21)27(7,8)19-29-20-28(9,10)24-17-13-22(14-18-24)26(4,5)6/h11-18H,19-20H2,1-10H3
InChIKeyMOHFGDYKQCCZPQ-UHFFFAOYSA-N
MW394.64 g/mol
LogP7.55
Rot. Bonds6

About 1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene

1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene (PubChem CID 56617676) has the molecular formula C28H42O and a molecular weight of 394.64 g/mol. Its IUPAC name is 1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene
PubChem CID56617676
Molecular FormulaC28H42O
Molecular Weight394.64 g/mol
Exact Mass394.32
IUPAC Name1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene
SMILESCC(C)(C)c1ccc(C(C)(C)COCC(C)(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H42O/c1-25(2,3)21-11-15-23(16-12-21)27(7,8)19-29-20-28(9,10)24-17-13-22(14-18-24)26(4,5)6/h11-18H,19-20H2,1-10H3
InChIKeyMOHFGDYKQCCZPQ-UHFFFAOYSA-N
XLogP7.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene
CID 57168738
2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one
CID 57068095
O-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine
CID 83683498
2-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine;hydrochloride
CID 74889721
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
2-(4-tert-butylphenyl)-1-methoxypropan-2-ol
CID 62550666
1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene
CID 57017797
1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene
CID 57305563
1-tert-butyl-4-[4-[5-[4-(4-tert-butylphenyl)iodanuidylphenyl]-2,5-dimethylhexan-2-yl]phenyl]iodanuidylbenzene
CID 163240909
2-(4-tert-butylphenyl)butan-2-amine
CID 62548189
(4-tert-butylphenyl)sulfanium chloride
CID 172830527
[4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol
CID 146243336

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene?
The IUPAC name of 1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene (CID 56617676) is 1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene?
The canonical SMILES for 1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene is CC(C)(C)c1ccc(C(C)(C)COCC(C)(C)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene?
The InChIKey is MOHFGDYKQCCZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O/c1-25(2,3)21-11-15-23(16-12-21)27(7,8)19-29-20-28(9,10)24-17-13-22(14-18-24)26(4,5)6/h11-18H,19-20H2,1-10H3.
What are the key properties of 1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene?
1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene has a molecular weight of 394.64 g/mol, XLogP of 7.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene is sourced from PubChem (CID 56617676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).