5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione

C16H12O4 — CID 163931596

IUPAC5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione
SMILESO=C1C2=C(C(=O)c3c(O)ccc(O)c31)C1C=CC2CC1
InChIInChI=1S/C16H12O4/c17-9-5-6-10(18)14-13(9)15(19)11-7-1-2-8(4-3-7)12(11)16(14)20/h1-2,5-8,17-18H,3-4H2
InChIKeyQNPKPXSHMWGHBB-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.37
Rot. Bonds

About 5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione

5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione (PubChem CID 163931596) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione.

Molecular Properties

Compound Name5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione
PubChem CID163931596
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione
SMILESO=C1C2=C(C(=O)c3c(O)ccc(O)c31)C1C=CC2CC1
InChIInChI=1S/C16H12O4/c17-9-5-6-10(18)14-13(9)15(19)11-7-1-2-8(4-3-7)12(11)16(14)20/h1-2,5-8,17-18H,3-4H2
InChIKeyQNPKPXSHMWGHBB-UHFFFAOYSA-N
XLogP2.37
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione?
The IUPAC name of 5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione (CID 163931596) is 5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione.
What is the SMILES notation for 5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione?
The canonical SMILES for 5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione is O=C1C2=C(C(=O)c3c(O)ccc(O)c31)C1C=CC2CC1.
What is the InChIKey of 5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione?
The InChIKey is QNPKPXSHMWGHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-9-5-6-10(18)14-13(9)15(19)11-7-1-2-8(4-3-7)12(11)16(14)20/h1-2,5-8,17-18H,3-4H2.
What are the key properties of 5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione?
5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione has a molecular weight of 268.27 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione is sourced from PubChem (CID 163931596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).