2,3-dimethoxynaphthalene-1,4-dione;ethane

C14H16O4 — CID 144726564

IUPAC2,3-dimethoxynaphthalene-1,4-dione;ethane
SMILESCC.COC1=C(OC)C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H10O4.C2H6/c1-15-11-9(13)7-5-3-4-6-8(7)10(14)12(11)16-2;1-2/h3-6H,1-2H3;1-2H3
InChIKeyUISNGKNMJRXABB-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.60
Rot. Bonds2

About 2,3-dimethoxynaphthalene-1,4-dione;ethane

2,3-dimethoxynaphthalene-1,4-dione;ethane (PubChem CID 144726564) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2,3-dimethoxynaphthalene-1,4-dione;ethane.

Molecular Properties

Compound Name2,3-dimethoxynaphthalene-1,4-dione;ethane
PubChem CID144726564
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name2,3-dimethoxynaphthalene-1,4-dione;ethane
SMILESCC.COC1=C(OC)C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H10O4.C2H6/c1-15-11-9(13)7-5-3-4-6-8(7)10(14)12(11)16-2;1-2/h3-6H,1-2H3;1-2H3
InChIKeyUISNGKNMJRXABB-UHFFFAOYSA-N
XLogP2.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2,3-dimethoxynaphthalene-1,4-dione;ethane 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

2-chloro-3-methoxynaphthalene-1,4-dione;2,3-dimethoxynaphthalene-1,4-dione
CID 70468705
2-methoxy-3-[1-(3-methoxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione
CID 139785690
anthracene-9,10-dione;carbanide;ethane;yttrium
CID 165067148
2-(2-hydroxyethyl)-3-methoxynaphthalene-1,4-dione
CID 10198526
ethane;bis(fluoren-9-one);methanol
CID 162250310
anthracene-9,10-dione;ethane;4-methoxyphenol
CID 90695266
2-methoxy-3-[1-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,3-dimethylpentyl]naphthalene-1,4-dione
CID 139785661
lithium;anthracene-9,10-dione;hydride
CID 174683199
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
CID 66807709
CID 66807709
phenanthrene-9,10-dione
CID 6763

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxynaphthalene-1,4-dione;ethane?
The IUPAC name of 2,3-dimethoxynaphthalene-1,4-dione;ethane (CID 144726564) is 2,3-dimethoxynaphthalene-1,4-dione;ethane.
What is the SMILES notation for 2,3-dimethoxynaphthalene-1,4-dione;ethane?
The canonical SMILES for 2,3-dimethoxynaphthalene-1,4-dione;ethane is CC.COC1=C(OC)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2,3-dimethoxynaphthalene-1,4-dione;ethane?
The InChIKey is UISNGKNMJRXABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4.C2H6/c1-15-11-9(13)7-5-3-4-6-8(7)10(14)12(11)16-2;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 2,3-dimethoxynaphthalene-1,4-dione;ethane?
2,3-dimethoxynaphthalene-1,4-dione;ethane has a molecular weight of 248.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxynaphthalene-1,4-dione;ethane is sourced from PubChem (CID 144726564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).