13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one

C18H10O4 — CID 167170412

IUPAC13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one
SMILESO=C1OC(O)c2ccc3c4c(ccc1c24)-c1ccccc1O3
InChIInChI=1S/C18H10O4/c19-17-11-6-5-10-9-3-1-2-4-13(9)21-14-8-7-12(18(20)22-17)15(11)16(10)14/h1-8,18,20H
InChIKeySZISGTORNJMWGL-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.77
Rot. Bonds

About 13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one

13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one (PubChem CID 167170412) has the molecular formula C18H10O4 and a molecular weight of 290.27 g/mol. Its IUPAC name is 13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one.

Molecular Properties

Compound Name13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one
PubChem CID167170412
Molecular FormulaC18H10O4
Molecular Weight290.27 g/mol
Exact Mass290.06
IUPAC Name13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one
SMILESO=C1OC(O)c2ccc3c4c(ccc1c24)-c1ccccc1O3
InChIInChI=1S/C18H10O4/c19-17-11-6-5-10-9-3-1-2-4-13(9)21-14-8-7-12(18(20)22-17)15(11)16(10)14/h1-8,18,20H
InChIKeySZISGTORNJMWGL-UHFFFAOYSA-N
XLogP3.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one?
The IUPAC name of 13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one (CID 167170412) is 13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one.
What is the SMILES notation for 13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one?
The canonical SMILES for 13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one is O=C1OC(O)c2ccc3c4c(ccc1c24)-c1ccccc1O3.
What is the InChIKey of 13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one?
The InChIKey is SZISGTORNJMWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O4/c19-17-11-6-5-10-9-3-1-2-4-13(9)21-14-8-7-12(18(20)22-17)15(11)16(10)14/h1-8,18,20H.
What are the key properties of 13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one?
13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one has a molecular weight of 290.27 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one is sourced from PubChem (CID 167170412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).