1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione

C21H22O6 — CID 14472276

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione
SMILESCOCCOCCOCCOc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C21H22O6/c1-24-9-10-25-11-12-26-13-14-27-18-8-4-7-17-19(18)21(23)16-6-3-2-5-15(16)20(17)22/h2-8H,9-14H2,1H3
InChIKeyYUKXPXFKQQHFCA-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.52
Rot. Bonds10

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione (PubChem CID 14472276) has the molecular formula C21H22O6 and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione
PubChem CID14472276
Molecular FormulaC21H22O6
Molecular Weight370.40 g/mol
Exact Mass370.14
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione
SMILESCOCCOCCOCCOc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C21H22O6/c1-24-9-10-25-11-12-26-13-14-27-18-8-4-7-17-19(18)21(23)16-6-3-2-5-15(16)20(17)22/h2-8H,9-14H2,1H3
InChIKeyYUKXPXFKQQHFCA-UHFFFAOYSA-N
XLogP2.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione
CID 134268269
2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione
CID 132569255
1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexoxy]anthracene-9,10-dione
CID 100997367
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
1-(2-hydroxyethoxy)anthracene-9,10-dione
CID 67340699
3-(9,10-dioxoanthracen-1-yl)oxypropanenitrile
CID 160717231
2-(9,10-dioxoanthracen-1-yl)oxyethanesulfonic acid
CID 142419416
1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione
CID 90269328
1,5-di(pentadecoxy)anthracene-9,10-dione
CID 132915778
ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
CID 11289858
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
1-(oxiran-2-ylmethoxy)anthracene-9,10-dione
CID 13423602

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione (CID 14472276) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione is COCCOCCOCCOc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione?
The InChIKey is YUKXPXFKQQHFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O6/c1-24-9-10-25-11-12-26-13-14-27-18-8-4-7-17-19(18)21(23)16-6-3-2-5-15(16)20(17)22/h2-8H,9-14H2,1H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione has a molecular weight of 370.40 g/mol, XLogP of 2.52, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione is sourced from PubChem (CID 14472276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).