4,5-dihydroxy-1,2-dihydroanthracene-9,10-dione

C14H10O4 — CID 20527652

IUPAC4,5-dihydroxy-1,2-dihydroanthracene-9,10-dione
SMILESO=C1C2=C(C(=O)c3c(O)cccc31)C(O)=CCC2
InChIInChI=1S/C14H10O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1,3,5-6,15-16H,2,4H2
InChIKeyIARXVTGZXDBPMH-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.30
Rot. Bonds

About 4,5-dihydroxy-1,2-dihydroanthracene-9,10-dione

4,5-dihydroxy-1,2-dihydroanthracene-9,10-dione (PubChem CID 20527652) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4,5-dihydroxy-1,2-dihydroanthracene-9,10-dione.

Molecular Properties

Compound Name4,5-dihydroxy-1,2-dihydroanthracene-9,10-dione
PubChem CID20527652
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name4,5-dihydroxy-1,2-dihydroanthracene-9,10-dione
SMILESO=C1C2=C(C(=O)c3c(O)cccc31)C(O)=CCC2
InChIInChI=1S/C14H10O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1,3,5-6,15-16H,2,4H2
InChIKeyIARXVTGZXDBPMH-UHFFFAOYSA-N
XLogP2.30
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4,5-dihydroxy-1,2-dihydroanthracene-9,10-dione?
The IUPAC name of 4,5-dihydroxy-1,2-dihydroanthracene-9,10-dione (CID 20527652) is 4,5-dihydroxy-1,2-dihydroanthracene-9,10-dione.
What is the SMILES notation for 4,5-dihydroxy-1,2-dihydroanthracene-9,10-dione?
The canonical SMILES for 4,5-dihydroxy-1,2-dihydroanthracene-9,10-dione is O=C1C2=C(C(=O)c3c(O)cccc31)C(O)=CCC2.
What is the InChIKey of 4,5-dihydroxy-1,2-dihydroanthracene-9,10-dione?
The InChIKey is IARXVTGZXDBPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1,3,5-6,15-16H,2,4H2.
What are the key properties of 4,5-dihydroxy-1,2-dihydroanthracene-9,10-dione?
4,5-dihydroxy-1,2-dihydroanthracene-9,10-dione has a molecular weight of 242.23 g/mol, XLogP of 2.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1,2-dihydroanthracene-9,10-dione is sourced from PubChem (CID 20527652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).