1-(2-methoxyethyl)-3,5-dimethylbenzene

C11H16O — CID 145478416

IUPAC1-(2-methoxyethyl)-3,5-dimethylbenzene
SMILESCOCCc1cc(C)cc(C)c1
InChIInChI=1S/C11H16O/c1-9-6-10(2)8-11(7-9)4-5-12-3/h6-8H,4-5H2,1-3H3
InChIKeyOAPKJKZXHOELAZ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.49
Rot. Bonds3

About 1-(2-methoxyethyl)-3,5-dimethylbenzene

1-(2-methoxyethyl)-3,5-dimethylbenzene (PubChem CID 145478416) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3,5-dimethylbenzene
PubChem CID145478416
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-(2-methoxyethyl)-3,5-dimethylbenzene
SMILESCOCCc1cc(C)cc(C)c1
InChIInChI=1S/C11H16O/c1-9-6-10(2)8-11(7-9)4-5-12-3/h6-8H,4-5H2,1-3H3
InChIKeyOAPKJKZXHOELAZ-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3,5-dimethylbenzene?
The IUPAC name of 1-(2-methoxyethyl)-3,5-dimethylbenzene (CID 145478416) is 1-(2-methoxyethyl)-3,5-dimethylbenzene.
What is the SMILES notation for 1-(2-methoxyethyl)-3,5-dimethylbenzene?
The canonical SMILES for 1-(2-methoxyethyl)-3,5-dimethylbenzene is COCCc1cc(C)cc(C)c1.
What is the InChIKey of 1-(2-methoxyethyl)-3,5-dimethylbenzene?
The InChIKey is OAPKJKZXHOELAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-9-6-10(2)8-11(7-9)4-5-12-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-3,5-dimethylbenzene?
1-(2-methoxyethyl)-3,5-dimethylbenzene has a molecular weight of 164.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3,5-dimethylbenzene is sourced from PubChem (CID 145478416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).