1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione

C17H14O5 — CID 90269328

IUPAC1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione
SMILESCOc1cccc2c1C(=O)c1cccc(OCCO)c1C2=O
InChIInChI=1S/C17H14O5/c1-21-12-6-2-4-10-14(12)16(19)11-5-3-7-13(22-9-8-18)15(11)17(10)20/h2-7,18H,8-9H2,1H3
InChIKeyLQGUWXSDSSBTAL-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.84
Rot. Bonds4

About 1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione

1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione (PubChem CID 90269328) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione
PubChem CID90269328
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione
SMILESCOc1cccc2c1C(=O)c1cccc(OCCO)c1C2=O
InChIInChI=1S/C17H14O5/c1-21-12-6-2-4-10-14(12)16(19)11-5-3-7-13(22-9-8-18)15(11)17(10)20/h2-7,18H,8-9H2,1H3
InChIKeyLQGUWXSDSSBTAL-UHFFFAOYSA-N
XLogP1.84
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethoxy)anthracene-9,10-dione
CID 67340699
1,5-dimethoxyfluoren-9-one
CID 19594782
2-(3-methoxy-2-phenylphenoxy)ethanol
CID 91364527
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970619
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
1,5-di(pentadecoxy)anthracene-9,10-dione
CID 132915778
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione
CID 14472276
1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione
CID 11131833
2-(9,10-dioxoanthracen-1-yl)oxyethanesulfonic acid
CID 142419416
5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione
CID 633617
dimethyl 5-methoxy-1,4-dioxonaphthalene-2,3-dicarboxylate
CID 10470278
1-hydroxy-5-methoxy-2-(2-oxopropyl)anthracene-9,10-dione
CID 11109668

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione?
The IUPAC name of 1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione (CID 90269328) is 1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione.
What is the SMILES notation for 1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione?
The canonical SMILES for 1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione is COc1cccc2c1C(=O)c1cccc(OCCO)c1C2=O.
What is the InChIKey of 1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione?
The InChIKey is LQGUWXSDSSBTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-21-12-6-2-4-10-14(12)16(19)11-5-3-7-13(22-9-8-18)15(11)17(10)20/h2-7,18H,8-9H2,1H3.
What are the key properties of 1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione?
1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione has a molecular weight of 298.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione is sourced from PubChem (CID 90269328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).