1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene

C14H22O — CID 118631923

IUPAC1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
SMILESCCC(C)(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C14H22O/c1-6-14(4,5)15-13-9-7-12(8-10-13)11(2)3/h7-11H,6H2,1-5H3
InChIKeyRORFGQJIJPYPGZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.38
Rot. Bonds4

About 1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene

1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene (PubChem CID 118631923) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
PubChem CID118631923
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
SMILESCCC(C)(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C14H22O/c1-6-14(4,5)15-13-9-7-12(8-10-13)11(2)3/h7-11H,6H2,1-5H3
InChIKeyRORFGQJIJPYPGZ-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
1-methyl-4-(2-methylbutan-2-yloxy)benzene
CID 572689
N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine
CID 62353237
1-[(Z)-2,2-dimethylhex-4-en-3-yl]-4-(2-methylbutan-2-yloxy)benzene
CID 173467970
2-(4-propan-2-ylphenoxy)propane-2-thiol
CID 137410677
ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene
CID 144811052
1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene
CID 22336719
tert-butyl 2-methyl-2-(4-propan-2-ylphenoxy)butanoate
CID 170191000
2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol
CID 175005292
5-(2-methylbutan-2-yloxy)-2-[5-(2-methylbutan-2-yloxy)-2-pyridinyl]pyridine
CID 69024589
1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene
CID 145340247
2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 43127773

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene?
The IUPAC name of 1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene (CID 118631923) is 1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene is CCC(C)(C)Oc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene?
The InChIKey is RORFGQJIJPYPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-6-14(4,5)15-13-9-7-12(8-10-13)11(2)3/h7-11H,6H2,1-5H3.
What are the key properties of 1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene?
1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene has a molecular weight of 206.33 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene is sourced from PubChem (CID 118631923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).