5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one

C16H12O5 — CID 139246405

IUPAC5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one
SMILESCC1(O)OOC2(O1)c1ccccc1C(=O)c1ccccc12
InChIInChI=1S/C16H12O5/c1-15(18)19-16(21-20-15)12-8-4-2-6-10(12)14(17)11-7-3-5-9-13(11)16/h2-9,18H,1H3
InChIKeyALQVFQRFBIKYIP-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.08
Rot. Bonds

About 5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one

5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one (PubChem CID 139246405) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one.

Molecular Properties

Compound Name5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one
PubChem CID139246405
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one
SMILESCC1(O)OOC2(O1)c1ccccc1C(=O)c1ccccc12
InChIInChI=1S/C16H12O5/c1-15(18)19-16(21-20-15)12-8-4-2-6-10(12)14(17)11-7-3-5-9-13(11)16/h2-9,18H,1H3
InChIKeyALQVFQRFBIKYIP-UHFFFAOYSA-N
XLogP2.08
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-10'-oxospiro[1,2,4-trioxolane-5,9'-anthracene]-3-olate
CID 139246404
2'-sulfanylidenespiro[dioxirane-3,3'-indene]-1'-one
CID 20575266
27,28-dioxaoctacyclo[12.12.2.11,15.12,6.08,13.021,26.014,30.019,29]triaconta-2,4,6(30),8,10,12,15,17,19(29),21,23,25-dodecaene-7,20-dione
CID 14969318
4-hydroxy-2,4-dimethylnaphthalen-1-one
CID 12724464
CID 132991801
CID 132991801
10-hydroperoxy-10-methoxyanthracen-9-one
CID 12601747
10-benzyl-10-hydroxyanthracen-9-one
CID 12660749
methane;9-methylfluoren-9-ol
CID 160708378
10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one
CID 139722204
ethane;bis(fluoren-9-one);methanol
CID 162250310
4,4-dimethyl-2-methylidene-3H-naphthalen-1-one
CID 57081376
(1S,14S,16R,19R)-16,19-dimethyl-15,18-dioxapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-diol
CID 102180606

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one?
The IUPAC name of 5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one (CID 139246405) is 5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one.
What is the SMILES notation for 5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one?
The canonical SMILES for 5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one is CC1(O)OOC2(O1)c1ccccc1C(=O)c1ccccc12.
What is the InChIKey of 5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one?
The InChIKey is ALQVFQRFBIKYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-15(18)19-16(21-20-15)12-8-4-2-6-10(12)14(17)11-7-3-5-9-13(11)16/h2-9,18H,1H3.
What are the key properties of 5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one?
5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one has a molecular weight of 284.27 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one is sourced from PubChem (CID 139246405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).