8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione

C20H10O6 — CID 11198778

IUPAC8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione
SMILESCOc1cccc2c(O)c3c(=O)c(=O)c4cccc5c(=O)oc(c12)c3c54
InChIInChI=1S/C20H10O6/c1-25-11-7-3-5-9-13(11)19-14-12-8(4-2-6-10(12)20(24)26-19)17(22)18(23)15(14)16(9)21/h2-7,21H,1H3
InChIKeyAAPQTUXCVOWKKU-UHFFFAOYSA-N
MW346.29 g/mol
LogP2.56
Rot. Bonds1

About 8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione

8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione (PubChem CID 11198778) has the molecular formula C20H10O6 and a molecular weight of 346.29 g/mol. Its IUPAC name is 8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione.

Molecular Properties

Compound Name8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione
PubChem CID11198778
Molecular FormulaC20H10O6
Molecular Weight346.29 g/mol
Exact Mass346.05
IUPAC Name8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione
SMILESCOc1cccc2c(O)c3c(=O)c(=O)c4cccc5c(=O)oc(c12)c3c54
InChIInChI=1S/C20H10O6/c1-25-11-7-3-5-9-13(11)19-14-12-8(4-2-6-10(12)20(24)26-19)17(22)18(23)15(14)16(9)21/h2-7,21H,1H3
InChIKeyAAPQTUXCVOWKKU-UHFFFAOYSA-N
XLogP2.56
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione?
The IUPAC name of 8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione (CID 11198778) is 8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione.
What is the SMILES notation for 8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione?
The canonical SMILES for 8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione is COc1cccc2c(O)c3c(=O)c(=O)c4cccc5c(=O)oc(c12)c3c54.
What is the InChIKey of 8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione?
The InChIKey is AAPQTUXCVOWKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10O6/c1-25-11-7-3-5-9-13(11)19-14-12-8(4-2-6-10(12)20(24)26-19)17(22)18(23)15(14)16(9)21/h2-7,21H,1H3.
What are the key properties of 8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione?
8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione has a molecular weight of 346.29 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione is sourced from PubChem (CID 11198778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).