1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene

C26H38O — CID 70852548

IUPAC1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene
SMILESCCC(C)(C)Oc1ccc(C(C)(C)c2ccc(C(C)(C)C)c(C)c2)cc1C
InChIInChI=1S/C26H38O/c1-11-25(7,8)27-23-15-13-21(17-19(23)3)26(9,10)20-12-14-22(18(2)16-20)24(4,5)6/h12-17H,11H2,1-10H3
InChIKeyBCUYGLZUPVNOIF-UHFFFAOYSA-N
MW366.59 g/mol
LogP7.49
Rot. Bonds5

About 1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene

1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene (PubChem CID 70852548) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene
PubChem CID70852548
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene
SMILESCCC(C)(C)Oc1ccc(C(C)(C)c2ccc(C(C)(C)C)c(C)c2)cc1C
InChIInChI=1S/C26H38O/c1-11-25(7,8)27-23-15-13-21(17-19(23)3)26(9,10)20-12-14-22(18(2)16-20)24(4,5)6/h12-17H,11H2,1-10H3
InChIKeyBCUYGLZUPVNOIF-UHFFFAOYSA-N
XLogP7.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene?
The IUPAC name of 1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene (CID 70852548) is 1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene?
The canonical SMILES for 1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene is CCC(C)(C)Oc1ccc(C(C)(C)c2ccc(C(C)(C)C)c(C)c2)cc1C.
What is the InChIKey of 1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene?
The InChIKey is BCUYGLZUPVNOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O/c1-11-25(7,8)27-23-15-13-21(17-19(23)3)26(9,10)20-12-14-22(18(2)16-20)24(4,5)6/h12-17H,11H2,1-10H3.
What are the key properties of 1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene?
1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene has a molecular weight of 366.59 g/mol, XLogP of 7.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene is sourced from PubChem (CID 70852548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).