4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione

C15H10O4 — CID 11550599

IUPAC4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione
SMILESO=C1C2=C(OC3C=CCC23)C(=O)c2c(O)cccc21
InChIInChI=1S/C15H10O4/c16-9-5-1-4-8-11(9)14(18)15-12(13(8)17)7-3-2-6-10(7)19-15/h1-2,4-7,10,16H,3H2
InChIKeyBVRSZVVYWDJYGL-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.00
Rot. Bonds

About 4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione

4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione (PubChem CID 11550599) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione.

Molecular Properties

Compound Name4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione
PubChem CID11550599
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione
SMILESO=C1C2=C(OC3C=CCC23)C(=O)c2c(O)cccc21
InChIInChI=1S/C15H10O4/c16-9-5-1-4-8-11(9)14(18)15-12(13(8)17)7-3-2-6-10(7)19-15/h1-2,4-7,10,16H,3H2
InChIKeyBVRSZVVYWDJYGL-UHFFFAOYSA-N
XLogP2.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione?
The IUPAC name of 4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione (CID 11550599) is 4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione.
What is the SMILES notation for 4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione?
The canonical SMILES for 4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione is O=C1C2=C(OC3C=CCC23)C(=O)c2c(O)cccc21.
What is the InChIKey of 4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione?
The InChIKey is BVRSZVVYWDJYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c16-9-5-1-4-8-11(9)14(18)15-12(13(8)17)7-3-2-6-10(7)19-15/h1-2,4-7,10,16H,3H2.
What are the key properties of 4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione?
4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione has a molecular weight of 254.24 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione is sourced from PubChem (CID 11550599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).