2,4-ditert-butyl-1-phenoxybenzene

C20H26O — CID 11323533

IUPAC2,4-ditert-butyl-1-phenoxybenzene
SMILESCC(C)(C)c1ccc(Oc2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C20H26O/c1-19(2,3)15-12-13-18(17(14-15)20(4,5)6)21-16-10-8-7-9-11-16/h7-14H,1-6H3
InChIKeyQXHAOBYYKWKIOC-UHFFFAOYSA-N
MW282.43 g/mol
LogP6.07
Rot. Bonds2

About 2,4-ditert-butyl-1-phenoxybenzene

2,4-ditert-butyl-1-phenoxybenzene (PubChem CID 11323533) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2,4-ditert-butyl-1-phenoxybenzene.

Molecular Properties

Compound Name2,4-ditert-butyl-1-phenoxybenzene
PubChem CID11323533
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name2,4-ditert-butyl-1-phenoxybenzene
SMILESCC(C)(C)c1ccc(Oc2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C20H26O/c1-19(2,3)15-12-13-18(17(14-15)20(4,5)6)21-16-10-8-7-9-11-16/h7-14H,1-6H3
InChIKeyQXHAOBYYKWKIOC-UHFFFAOYSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 56.07
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-phenoxybenzene?
The IUPAC name of 2,4-ditert-butyl-1-phenoxybenzene (CID 11323533) is 2,4-ditert-butyl-1-phenoxybenzene.
What is the SMILES notation for 2,4-ditert-butyl-1-phenoxybenzene?
The canonical SMILES for 2,4-ditert-butyl-1-phenoxybenzene is CC(C)(C)c1ccc(Oc2ccccc2)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-1-phenoxybenzene?
The InChIKey is QXHAOBYYKWKIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-19(2,3)15-12-13-18(17(14-15)20(4,5)6)21-16-10-8-7-9-11-16/h7-14H,1-6H3.
What are the key properties of 2,4-ditert-butyl-1-phenoxybenzene?
2,4-ditert-butyl-1-phenoxybenzene has a molecular weight of 282.43 g/mol, XLogP of 6.07, 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-phenoxybenzene is sourced from PubChem (CID 11323533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).