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

C23H26O7 — CID 134268269

IUPAC1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione
SMILESCOCCOCCOC(C)OCCOc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H26O7/c1-16(28-13-12-27-11-10-26-2)29-14-15-30-20-9-5-8-19-21(20)23(25)18-7-4-3-6-17(18)22(19)24/h3-9,16H,10-15H2,1-2H3
InChIKeyZCFSJOLJLPPKKU-UHFFFAOYSA-N
MW414.45 g/mol
LogP2.88
Rot. Bonds12

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

1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione (PubChem CID 134268269) has the molecular formula C23H26O7 and a molecular weight of 414.45 g/mol. Its IUPAC name is 1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione.

Molecular Properties

Compound Name1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione
PubChem CID134268269
Molecular FormulaC23H26O7
Molecular Weight414.45 g/mol
Exact Mass414.17
IUPAC Name1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione
SMILESCOCCOCCOC(C)OCCOc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H26O7/c1-16(28-13-12-27-11-10-26-2)29-14-15-30-20-9-5-8-19-21(20)23(25)18-7-4-3-6-17(18)22(19)24/h3-9,16H,10-15H2,1-2H3
InChIKeyZCFSJOLJLPPKKU-UHFFFAOYSA-N
XLogP2.88
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione
CID 14472276
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-(3-methylbut-2-enoxy)anthracene-9,10-dione
CID 86244771
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione?
The IUPAC name of 1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione (CID 134268269) is 1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione.
What is the SMILES notation for 1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione?
The canonical SMILES for 1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione is COCCOCCOC(C)OCCOc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione?
The InChIKey is ZCFSJOLJLPPKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O7/c1-16(28-13-12-27-11-10-26-2)29-14-15-30-20-9-5-8-19-21(20)23(25)18-7-4-3-6-17(18)22(19)24/h3-9,16H,10-15H2,1-2H3.
What are the key properties of 1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione?
1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione has a molecular weight of 414.45 g/mol, XLogP of 2.88, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione is sourced from PubChem (CID 134268269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).