bis(2-methoxyethoxy)methylbenzene

C13H20O4 — CID 3085461

IUPACbis(2-methoxyethoxy)methylbenzene
SMILESCOCCOC(OCCOC)c1ccccc1
InChIInChI=1S/C13H20O4/c1-14-8-10-16-13(17-11-9-15-2)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyQMBCKGRWKCXXJI-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.01
Rot. Bonds9

About bis(2-methoxyethoxy)methylbenzene

bis(2-methoxyethoxy)methylbenzene (PubChem CID 3085461) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is bis(2-methoxyethoxy)methylbenzene.

Molecular Properties

Compound Namebis(2-methoxyethoxy)methylbenzene
PubChem CID3085461
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Namebis(2-methoxyethoxy)methylbenzene
SMILESCOCCOC(OCCOC)c1ccccc1
InChIInChI=1S/C13H20O4/c1-14-8-10-16-13(17-11-9-15-2)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyQMBCKGRWKCXXJI-UHFFFAOYSA-N
XLogP2.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethoxy)methylbenzene?
The IUPAC name of bis(2-methoxyethoxy)methylbenzene (CID 3085461) is bis(2-methoxyethoxy)methylbenzene.
What is the SMILES notation for bis(2-methoxyethoxy)methylbenzene?
The canonical SMILES for bis(2-methoxyethoxy)methylbenzene is COCCOC(OCCOC)c1ccccc1.
What is the InChIKey of bis(2-methoxyethoxy)methylbenzene?
The InChIKey is QMBCKGRWKCXXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-14-8-10-16-13(17-11-9-15-2)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3.
What are the key properties of bis(2-methoxyethoxy)methylbenzene?
bis(2-methoxyethoxy)methylbenzene has a molecular weight of 240.30 g/mol, XLogP of 2.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethoxy)methylbenzene is sourced from PubChem (CID 3085461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).