anthra[1,2-c]dioxet-3-ol

C14H8O3 — CID 168873543

IUPACanthra[1,2-c]dioxet-3-ol
SMILESOc1cc2cc3ccccc3cc2c2ooc12
InChIInChI=1S/C14H8O3/c15-12-7-10-5-8-3-1-2-4-9(8)6-11(10)13-14(12)17-16-13/h1-7,15H
InChIKeyXIJBOFVTSUZZPJ-UHFFFAOYSA-N
MW224.22 g/mol
LogP4.04
Rot. Bonds

About anthra[1,2-c]dioxet-3-ol

anthra[1,2-c]dioxet-3-ol (PubChem CID 168873543) has the molecular formula C14H8O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is anthra[1,2-c]dioxet-3-ol.

Molecular Properties

Compound Nameanthra[1,2-c]dioxet-3-ol
PubChem CID168873543
Molecular FormulaC14H8O3
Molecular Weight224.22 g/mol
Exact Mass224.05
IUPAC Nameanthra[1,2-c]dioxet-3-ol
SMILESOc1cc2cc3ccccc3cc2c2ooc12
InChIInChI=1S/C14H8O3/c15-12-7-10-5-8-3-1-2-4-9(8)6-11(10)13-14(12)17-16-13/h1-7,15H
InChIKeyXIJBOFVTSUZZPJ-UHFFFAOYSA-N
XLogP4.04
TPSA46.51 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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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1-anthracen-1-ylanthracene-2,3-diol
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CID 140731781
octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol
CID 87638914
1,3-dihydroxyanthracene-2-sulfonic acid
CID 91522972
CID 89262500
CID 89262500
benzo[a]anthracen-1-ol;methane
CID 88728153
azane;benzo[a]anthracen-1-ol
CID 87178862
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3-aminoanthracen-2-ol
CID 22413182

Frequently Asked Questions

What is the IUPAC name of anthra[1,2-c]dioxet-3-ol?
The IUPAC name of anthra[1,2-c]dioxet-3-ol (CID 168873543) is anthra[1,2-c]dioxet-3-ol.
What is the SMILES notation for anthra[1,2-c]dioxet-3-ol?
The canonical SMILES for anthra[1,2-c]dioxet-3-ol is Oc1cc2cc3ccccc3cc2c2ooc12.
What is the InChIKey of anthra[1,2-c]dioxet-3-ol?
The InChIKey is XIJBOFVTSUZZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O3/c15-12-7-10-5-8-3-1-2-4-9(8)6-11(10)13-14(12)17-16-13/h1-7,15H.
What are the key properties of anthra[1,2-c]dioxet-3-ol?
anthra[1,2-c]dioxet-3-ol has a molecular weight of 224.22 g/mol, XLogP of 4.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthra[1,2-c]dioxet-3-ol is sourced from PubChem (CID 168873543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).