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'}

Analyze 2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methoxyethoxy)cyclohex-2-ene-1,4-dione
CID 90234974
1-(2-methoxyethoxy)-2-methylidenecyclopropane
CID 101364764
8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione
CID 15955456
2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70423152
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
2-(methoxymethyl)-2,3-dihydroinden-1-one
CID 71409050
(3-oxo-1,2-dihydroinden-1-yl) 2-iodobutanoate
CID 137452937
2-(2-methoxyethyl)-1-benzofuran-3-one
CID 155166560
2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione
CID 132569255
2-[N-(3-methoxypropyl)-C-methylcarbonimidoyl]indene-1,3-dione
CID 7037644
2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one
CID 103410639
3-(2-methylpropyl)-2,3-dihydroinden-1-one
CID 63820625

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).