1,2-diethoxyanthracene-9,10-dione

C18H16O4 — CID 71414980

IUPAC1,2-diethoxyanthracene-9,10-dione
SMILESCCOc1ccc2c(c1OCC)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H16O4/c1-3-21-14-10-9-13-15(18(14)22-4-2)17(20)12-8-6-5-7-11(12)16(13)19/h5-10H,3-4H2,1-2H3
InChIKeyMFZQGVIVNYZZGI-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.26
Rot. Bonds4

About 1,2-diethoxyanthracene-9,10-dione

1,2-diethoxyanthracene-9,10-dione (PubChem CID 71414980) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1,2-diethoxyanthracene-9,10-dione.

Molecular Properties

Compound Name1,2-diethoxyanthracene-9,10-dione
PubChem CID71414980
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name1,2-diethoxyanthracene-9,10-dione
SMILESCCOc1ccc2c(c1OCC)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H16O4/c1-3-21-14-10-9-13-15(18(14)22-4-2)17(20)12-8-6-5-7-11(12)16(13)19/h5-10H,3-4H2,1-2H3
InChIKeyMFZQGVIVNYZZGI-UHFFFAOYSA-N
XLogP3.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(prop-2-ynoxy)anthracene-9,10-dione
CID 102457084
6-(2-aminophenyl)-2,3-diethoxyaniline
CID 175397921
anthracene-9,10-dione;propane
CID 162068050
N-(9,10-dioxoanthracen-2-yl)-3,4,5-triethoxybenzamide
CID 2892221
2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one
CID 67570590
2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one
CID 67569634
1-[(E)-hex-2-enoxy]anthracene-9,10-dione
CID 15716447
ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
CID 11289858
1-methoxy-2-(2-methylpropyl)anthracene-9,10-dione
CID 10613716
bis(2-methyl-9,10-dioxoanthracen-1-yl) sulfate
CID 175098018
1-amino-3-ethoxy-4-hydroxy-2-methoxyanthracene-9,10-dione
CID 70603510
2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid
CID 20527657

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxyanthracene-9,10-dione?
The IUPAC name of 1,2-diethoxyanthracene-9,10-dione (CID 71414980) is 1,2-diethoxyanthracene-9,10-dione.
What is the SMILES notation for 1,2-diethoxyanthracene-9,10-dione?
The canonical SMILES for 1,2-diethoxyanthracene-9,10-dione is CCOc1ccc2c(c1OCC)C(=O)c1ccccc1C2=O.
What is the InChIKey of 1,2-diethoxyanthracene-9,10-dione?
The InChIKey is MFZQGVIVNYZZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-3-21-14-10-9-13-15(18(14)22-4-2)17(20)12-8-6-5-7-11(12)16(13)19/h5-10H,3-4H2,1-2H3.
What are the key properties of 1,2-diethoxyanthracene-9,10-dione?
1,2-diethoxyanthracene-9,10-dione has a molecular weight of 296.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxyanthracene-9,10-dione is sourced from PubChem (CID 71414980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).