1-hydroxyanthracene-9,10-dione

C14H8O3 — CID 8512

IUPAC1-hydroxyanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(O)cccc21
InChIInChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H
InChIKeyBTLXPCBPYBNQNR-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.17
Rot. Bonds

About 1-hydroxyanthracene-9,10-dione

1-hydroxyanthracene-9,10-dione (PubChem CID 8512) has the molecular formula C14H8O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-hydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-hydroxyanthracene-9,10-dione
PubChem CID8512
Molecular FormulaC14H8O3
Molecular Weight224.22 g/mol
Exact Mass224.05
IUPAC Name1-hydroxyanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(O)cccc21
InChIInChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H
InChIKeyBTLXPCBPYBNQNR-UHFFFAOYSA-N
XLogP2.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyanthracene-9,10-dione?
The IUPAC name of 1-hydroxyanthracene-9,10-dione (CID 8512) is 1-hydroxyanthracene-9,10-dione.
What is the SMILES notation for 1-hydroxyanthracene-9,10-dione?
The canonical SMILES for 1-hydroxyanthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c(O)cccc21.
What is the InChIKey of 1-hydroxyanthracene-9,10-dione?
The InChIKey is BTLXPCBPYBNQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H.
What are the key properties of 1-hydroxyanthracene-9,10-dione?
1-hydroxyanthracene-9,10-dione has a molecular weight of 224.22 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyanthracene-9,10-dione is sourced from PubChem (CID 8512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).