4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione

C18H8O5 — CID 143335534

IUPAC4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione
SMILESO=c1oc(=O)c2ccc3c4cc(O)ccc4oc4ccc1c2c43
InChIInChI=1S/C18H8O5/c19-8-1-5-13-12(7-8)9-2-3-10-15-11(18(21)23-17(10)20)4-6-14(22-13)16(9)15/h1-7,19H
InChIKeyLTEPNKOIFKAAIM-UHFFFAOYSA-N
MW304.26 g/mol
LogP3.35
Rot. Bonds

About 4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione

4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione (PubChem CID 143335534) has the molecular formula C18H8O5 and a molecular weight of 304.26 g/mol. Its IUPAC name is 4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione.

Molecular Properties

Compound Name4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione
PubChem CID143335534
Molecular FormulaC18H8O5
Molecular Weight304.26 g/mol
Exact Mass304.04
IUPAC Name4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione
SMILESO=c1oc(=O)c2ccc3c4cc(O)ccc4oc4ccc1c2c43
InChIInChI=1S/C18H8O5/c19-8-1-5-13-12(7-8)9-2-3-10-15-11(18(21)23-17(10)20)4-6-14(22-13)16(9)15/h1-7,19H
InChIKeyLTEPNKOIFKAAIM-UHFFFAOYSA-N
XLogP3.35
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione?
The IUPAC name of 4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione (CID 143335534) is 4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione.
What is the SMILES notation for 4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione?
The canonical SMILES for 4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione is O=c1oc(=O)c2ccc3c4cc(O)ccc4oc4ccc1c2c43.
What is the InChIKey of 4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione?
The InChIKey is LTEPNKOIFKAAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8O5/c19-8-1-5-13-12(7-8)9-2-3-10-15-11(18(21)23-17(10)20)4-6-14(22-13)16(9)15/h1-7,19H.
What are the key properties of 4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione?
4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione has a molecular weight of 304.26 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione is sourced from PubChem (CID 143335534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).