1-(2-hydroxyethoxy)anthracene-9,10-dione

C16H12O4 — CID 67340699

IUPAC1-(2-hydroxyethoxy)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(OCCO)cccc21
InChIInChI=1S/C16H12O4/c17-8-9-20-13-7-3-6-12-14(13)16(19)11-5-2-1-4-10(11)15(12)18/h1-7,17H,8-9H2
InChIKeyBFWCLDAHORZQDR-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.83
Rot. Bonds3

About 1-(2-hydroxyethoxy)anthracene-9,10-dione

1-(2-hydroxyethoxy)anthracene-9,10-dione (PubChem CID 67340699) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(2-hydroxyethoxy)anthracene-9,10-dione
PubChem CID67340699
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name1-(2-hydroxyethoxy)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(OCCO)cccc21
InChIInChI=1S/C16H12O4/c17-8-9-20-13-7-3-6-12-14(13)16(19)11-5-2-1-4-10(11)15(12)18/h1-7,17H,8-9H2
InChIKeyBFWCLDAHORZQDR-UHFFFAOYSA-N
XLogP1.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
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-hydroxyethoxy)-5-methoxyanthracene-9,10-dione
CID 90269328
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
2-(9,10-dioxoanthracen-1-yl)oxyethanesulfonic acid
CID 142419416
3-(9,10-dioxoanthracen-1-yl)oxypropanenitrile
CID 160717231
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione
CID 14472276
1-(3-methylbut-2-enoxy)anthracene-9,10-dione
CID 86244771
1,8-bis(3-iodopropoxy)anthracene-9,10-dione
CID 634217
1,5-di(pentadecoxy)anthracene-9,10-dione
CID 132915778
ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
CID 11289858
1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione
CID 134268269
1-(oxiran-2-ylmethoxy)anthracene-9,10-dione
CID 13423602
1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
CID 10937982

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)anthracene-9,10-dione?
The IUPAC name of 1-(2-hydroxyethoxy)anthracene-9,10-dione (CID 67340699) is 1-(2-hydroxyethoxy)anthracene-9,10-dione.
What is the SMILES notation for 1-(2-hydroxyethoxy)anthracene-9,10-dione?
The canonical SMILES for 1-(2-hydroxyethoxy)anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c(OCCO)cccc21.
What is the InChIKey of 1-(2-hydroxyethoxy)anthracene-9,10-dione?
The InChIKey is BFWCLDAHORZQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-8-9-20-13-7-3-6-12-14(13)16(19)11-5-2-1-4-10(11)15(12)18/h1-7,17H,8-9H2.
What are the key properties of 1-(2-hydroxyethoxy)anthracene-9,10-dione?
1-(2-hydroxyethoxy)anthracene-9,10-dione has a molecular weight of 268.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxy)anthracene-9,10-dione is sourced from PubChem (CID 67340699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).