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

C12H18O — CID 19017383

IUPAC1-(1-ethoxypropan-2-yl)-4-methylbenzene
SMILESCCOCC(C)c1ccc(C)cc1
InChIInChI=1S/C12H18O/c1-4-13-9-11(3)12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3
InChIKeyQLWHYXZAZCSGOB-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.14
Rot. Bonds4

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

1-(1-ethoxypropan-2-yl)-4-methylbenzene (PubChem CID 19017383) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-(1-ethoxypropan-2-yl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-ethoxypropan-2-yl)-4-methylbenzene
PubChem CID19017383
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-(1-ethoxypropan-2-yl)-4-methylbenzene
SMILESCCOCC(C)c1ccc(C)cc1
InChIInChI=1S/C12H18O/c1-4-13-9-11(3)12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3
InChIKeyQLWHYXZAZCSGOB-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxypropan-2-yl)-4-methylbenzene?
The IUPAC name of 1-(1-ethoxypropan-2-yl)-4-methylbenzene (CID 19017383) is 1-(1-ethoxypropan-2-yl)-4-methylbenzene.
What is the SMILES notation for 1-(1-ethoxypropan-2-yl)-4-methylbenzene?
The canonical SMILES for 1-(1-ethoxypropan-2-yl)-4-methylbenzene is CCOCC(C)c1ccc(C)cc1.
What is the InChIKey of 1-(1-ethoxypropan-2-yl)-4-methylbenzene?
The InChIKey is QLWHYXZAZCSGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-4-13-9-11(3)12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3.
What are the key properties of 1-(1-ethoxypropan-2-yl)-4-methylbenzene?
1-(1-ethoxypropan-2-yl)-4-methylbenzene has a molecular weight of 178.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypropan-2-yl)-4-methylbenzene is sourced from PubChem (CID 19017383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).