2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene

C14H22O — CID 81005711

IUPAC2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
SMILESCCC(C)Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C14H22O/c1-6-12(5)15-14-9-13(10(2)3)8-7-11(14)4/h7-10,12H,6H2,1-5H3
InChIKeyMITDZROASVTWKA-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.30
Rot. Bonds4

About 2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene

2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene (PubChem CID 81005711) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
PubChem CID81005711
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
SMILESCCC(C)Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C14H22O/c1-6-12(5)15-14-9-13(10(2)3)8-7-11(14)4/h7-10,12H,6H2,1-5H3
InChIKeyMITDZROASVTWKA-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine
CID 62484519
4-bromo-2-butan-2-yloxy-1-methylbenzene
CID 103693573
2-methyl-N-[2-(2-methyl-5-propan-2-ylphenoxy)propyl]propan-2-amine
CID 63496668
3-(2-methyl-5-propan-2-ylphenoxy)heptan-4-ol
CID 63465952
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64810374
2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64811206
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112
2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile
CID 64725441
2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine
CID 63500724
2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81005195

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene?
The IUPAC name of 2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene (CID 81005711) is 2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for 2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for 2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene is CCC(C)Oc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene?
The InChIKey is MITDZROASVTWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-6-12(5)15-14-9-13(10(2)3)8-7-11(14)4/h7-10,12H,6H2,1-5H3.
What are the key properties of 2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene?
2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene has a molecular weight of 206.33 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 81005711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).