1-(2-methoxyethoxy)-4-methylbenzene

C10H14O2 — CID 3086443

IUPAC1-(2-methoxyethoxy)-4-methylbenzene
SMILESCOCCOc1ccc(C)cc1
InChIInChI=1S/C10H14O2/c1-9-3-5-10(6-4-9)12-8-7-11-2/h3-6H,7-8H2,1-2H3
InChIKeyDOSUSQYYROSQFJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.02
Rot. Bonds4

About 1-(2-methoxyethoxy)-4-methylbenzene

1-(2-methoxyethoxy)-4-methylbenzene (PubChem CID 3086443) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-4-methylbenzene
PubChem CID3086443
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(2-methoxyethoxy)-4-methylbenzene
SMILESCOCCOc1ccc(C)cc1
InChIInChI=1S/C10H14O2/c1-9-3-5-10(6-4-9)12-8-7-11-2/h3-6H,7-8H2,1-2H3
InChIKeyDOSUSQYYROSQFJ-UHFFFAOYSA-N
XLogP2.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-4-methylbenzene?
The IUPAC name of 1-(2-methoxyethoxy)-4-methylbenzene (CID 3086443) is 1-(2-methoxyethoxy)-4-methylbenzene.
What is the SMILES notation for 1-(2-methoxyethoxy)-4-methylbenzene?
The canonical SMILES for 1-(2-methoxyethoxy)-4-methylbenzene is COCCOc1ccc(C)cc1.
What is the InChIKey of 1-(2-methoxyethoxy)-4-methylbenzene?
The InChIKey is DOSUSQYYROSQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-9-3-5-10(6-4-9)12-8-7-11-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-4-methylbenzene?
1-(2-methoxyethoxy)-4-methylbenzene has a molecular weight of 166.22 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-4-methylbenzene is sourced from PubChem (CID 3086443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).