1-(2-methoxypropan-2-yl)-4-methylbenzene

C11H16O — CID 14121774

IUPAC1-(2-methoxypropan-2-yl)-4-methylbenzene
SMILESCOC(C)(C)c1ccc(C)cc1
InChIInChI=1S/C11H16O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5-8H,1-4H3
InChIKeyYCCVSCJOXISVEI-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.88
Rot. Bonds2

About 1-(2-methoxypropan-2-yl)-4-methylbenzene

1-(2-methoxypropan-2-yl)-4-methylbenzene (PubChem CID 14121774) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(2-methoxypropan-2-yl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2-methoxypropan-2-yl)-4-methylbenzene
PubChem CID14121774
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-(2-methoxypropan-2-yl)-4-methylbenzene
SMILESCOC(C)(C)c1ccc(C)cc1
InChIInChI=1S/C11H16O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5-8H,1-4H3
InChIKeyYCCVSCJOXISVEI-UHFFFAOYSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropan-2-yl)-4-methylbenzene?
The IUPAC name of 1-(2-methoxypropan-2-yl)-4-methylbenzene (CID 14121774) is 1-(2-methoxypropan-2-yl)-4-methylbenzene.
What is the SMILES notation for 1-(2-methoxypropan-2-yl)-4-methylbenzene?
The canonical SMILES for 1-(2-methoxypropan-2-yl)-4-methylbenzene is COC(C)(C)c1ccc(C)cc1.
What is the InChIKey of 1-(2-methoxypropan-2-yl)-4-methylbenzene?
The InChIKey is YCCVSCJOXISVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5-8H,1-4H3.
What are the key properties of 1-(2-methoxypropan-2-yl)-4-methylbenzene?
1-(2-methoxypropan-2-yl)-4-methylbenzene has a molecular weight of 164.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropan-2-yl)-4-methylbenzene is sourced from PubChem (CID 14121774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).