1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene

C15H24O — CID 142044408

IUPAC1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene
SMILESCC(C)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24O/c1-11(2)12(3)16-14-9-7-13(8-10-14)15(4,5)6/h7-12H,1-6H3
InChIKeyLMSKBAJSIGADFS-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.41
Rot. Bonds3

About 1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene

1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene (PubChem CID 142044408) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene
PubChem CID142044408
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene
SMILESCC(C)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24O/c1-11(2)12(3)16-14-9-7-13(8-10-14)15(4,5)6/h7-12H,1-6H3
InChIKeyLMSKBAJSIGADFS-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Anethole
CID 637563
Estragole
CID 8815
Bisphenol A diglycidyl ether
CID 2286
Propargite
CID 4936
Etofenprox
CID 71245
Aramite
CID 8809
4-Methylanisole
CID 7731
Cresyl glycidyl ether
CID 16606
p-tert-Butylphenyl glycidyl ether
CID 18360
cis-Anethole
CID 1549040
4-Propylanisole
CID 7702
Triton X 100
CID 5590

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene?
The IUPAC name of 1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene (CID 142044408) is 1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene.
What is the SMILES notation for 1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene?
The canonical SMILES for 1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene is CC(C)C(C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene?
The InChIKey is LMSKBAJSIGADFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)12(3)16-14-9-7-13(8-10-14)15(4,5)6/h7-12H,1-6H3.
What are the key properties of 1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene?
1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene has a molecular weight of 220.36 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene is sourced from PubChem (CID 142044408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).