2,4-ditert-butyl-1-(2,4-ditert-butylphenoxy)benzene

C28H42O — CID 2818077

IUPAC2,4-ditert-butyl-1-(2,4-ditert-butylphenoxy)benzene
SMILESCC(C)(C)c1ccc(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C28H42O/c1-25(2,3)19-13-15-23(21(17-19)27(7,8)9)29-24-16-14-20(26(4,5)6)18-22(24)28(10,11)12/h13-18H,1-12H3
InChIKeyQOCLRPMIJGICFT-UHFFFAOYSA-N
MW394.64 g/mol
LogP8.67
Rot. Bonds2

About 2,4-ditert-butyl-1-(2,4-ditert-butylphenoxy)benzene

2,4-ditert-butyl-1-(2,4-ditert-butylphenoxy)benzene (PubChem CID 2818077) has the molecular formula C28H42O and a molecular weight of 394.64 g/mol. Its IUPAC name is 2,4-ditert-butyl-1-(2,4-ditert-butylphenoxy)benzene.

Molecular Properties

Compound Name2,4-ditert-butyl-1-(2,4-ditert-butylphenoxy)benzene
PubChem CID2818077
Molecular FormulaC28H42O
Molecular Weight394.64 g/mol
Exact Mass394.32
IUPAC Name2,4-ditert-butyl-1-(2,4-ditert-butylphenoxy)benzene
SMILESCC(C)(C)c1ccc(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C28H42O/c1-25(2,3)19-13-15-23(21(17-19)27(7,8)9)29-24-16-14-20(26(4,5)6)18-22(24)28(10,11)12/h13-18H,1-12H3
InChIKeyQOCLRPMIJGICFT-UHFFFAOYSA-N
XLogP8.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-1-(2,4-ditert-butylphenoxy)benzene?
The IUPAC name of 2,4-ditert-butyl-1-(2,4-ditert-butylphenoxy)benzene (CID 2818077) is 2,4-ditert-butyl-1-(2,4-ditert-butylphenoxy)benzene.
What is the SMILES notation for 2,4-ditert-butyl-1-(2,4-ditert-butylphenoxy)benzene?
The canonical SMILES for 2,4-ditert-butyl-1-(2,4-ditert-butylphenoxy)benzene is CC(C)(C)c1ccc(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-1-(2,4-ditert-butylphenoxy)benzene?
The InChIKey is QOCLRPMIJGICFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O/c1-25(2,3)19-13-15-23(21(17-19)27(7,8)9)29-24-16-14-20(26(4,5)6)18-22(24)28(10,11)12/h13-18H,1-12H3.
What are the key properties of 2,4-ditert-butyl-1-(2,4-ditert-butylphenoxy)benzene?
2,4-ditert-butyl-1-(2,4-ditert-butylphenoxy)benzene has a molecular weight of 394.64 g/mol, XLogP of 8.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-1-(2,4-ditert-butylphenoxy)benzene is sourced from PubChem (CID 2818077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).