4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene

C26H38O — CID 139682030

IUPAC4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(C)(C)C)cc1Oc1cc(C(C)(C)C)ccc1C(C)C
InChIInChI=1S/C26H38O/c1-17(2)21-13-11-19(25(5,6)7)15-23(21)27-24-16-20(26(8,9)10)12-14-22(24)18(3)4/h11-18H,1-10H3
InChIKeyWYYLJQBSYFWMQZ-UHFFFAOYSA-N
MW366.59 g/mol
LogP8.32
Rot. Bonds4

About 4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene

4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene (PubChem CID 139682030) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene
PubChem CID139682030
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(C)(C)C)cc1Oc1cc(C(C)(C)C)ccc1C(C)C
InChIInChI=1S/C26H38O/c1-17(2)21-13-11-19(25(5,6)7)15-23(21)27-24-16-20(26(8,9)10)12-14-22(24)18(3)4/h11-18H,1-10H3
InChIKeyWYYLJQBSYFWMQZ-UHFFFAOYSA-N
XLogP8.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol
CID 156700199
2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 58551068
2-(4-tert-butyl-2-methoxyphenyl)propanamide
CID 91547316
4-tert-butyl-2-propan-2-ylphenol;formaldehyde
CID 174874962
1-(5-tert-butyl-2-methoxyphenyl)ethanethiol
CID 116866684
2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene
CID 140958911
(1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol
CID 78944803
2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine
CID 895271
4-tert-butyl-1-nitro-2-propan-2-ylbenzene
CID 167337467
5-tert-butyl-3-propan-2-yl-1-benzofuran
CID 176774938
4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine
CID 176746640
1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole
CID 176746604

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene?
The IUPAC name of 4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene (CID 139682030) is 4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene.
What is the SMILES notation for 4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene?
The canonical SMILES for 4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene is CC(C)c1ccc(C(C)(C)C)cc1Oc1cc(C(C)(C)C)ccc1C(C)C.
What is the InChIKey of 4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene?
The InChIKey is WYYLJQBSYFWMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O/c1-17(2)21-13-11-19(25(5,6)7)15-23(21)27-24-16-20(26(8,9)10)12-14-22(24)18(3)4/h11-18H,1-10H3.
What are the key properties of 4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene?
4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene has a molecular weight of 366.59 g/mol, XLogP of 8.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene is sourced from PubChem (CID 139682030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).