2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione

C13H14O4 — CID 69193814

IUPAC2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione
SMILESCOCCOC1CC(=O)c2ccccc2C1=O
InChIInChI=1S/C13H14O4/c1-16-6-7-17-12-8-11(14)9-4-2-3-5-10(9)13(12)15/h2-5,12H,6-8H2,1H3
InChIKeyBBGDIRZRHLXTCR-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.49
Rot. Bonds4

About 2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione

2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione (PubChem CID 69193814) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione
PubChem CID69193814
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione
SMILESCOCCOC1CC(=O)c2ccccc2C1=O
InChIInChI=1S/C13H14O4/c1-16-6-7-17-12-8-11(14)9-4-2-3-5-10(9)13(12)15/h2-5,12H,6-8H2,1H3
InChIKeyBBGDIRZRHLXTCR-UHFFFAOYSA-N
XLogP1.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione?
The IUPAC name of 2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione (CID 69193814) is 2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione.
What is the SMILES notation for 2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione?
The canonical SMILES for 2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione is COCCOC1CC(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione?
The InChIKey is BBGDIRZRHLXTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-16-6-7-17-12-8-11(14)9-4-2-3-5-10(9)13(12)15/h2-5,12H,6-8H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione?
2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione has a molecular weight of 234.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione is sourced from PubChem (CID 69193814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).