8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one

C28H18O6 — CID 141176168

IUPAC8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one
SMILESO=c1c2c(-c3ccc(O)cc3)oc3ccc(c(O)c13)OC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C28H18O6/c29-20-13-11-17(12-14-20)26-27-25(31)23-21(32-26)15-16-22(24(23)30)33-28(34-27,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,29-30H
InChIKeyVOZPWTWEJFKGCN-UHFFFAOYSA-N
MW450.45 g/mol
LogP5.54
Rot. Bonds3

About 8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one

8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one (PubChem CID 141176168) has the molecular formula C28H18O6 and a molecular weight of 450.45 g/mol. Its IUPAC name is 8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one.

Molecular Properties

Compound Name8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one
PubChem CID141176168
Molecular FormulaC28H18O6
Molecular Weight450.45 g/mol
Exact Mass450.11
IUPAC Name8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one
SMILESO=c1c2c(-c3ccc(O)cc3)oc3ccc(c(O)c13)OC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C28H18O6/c29-20-13-11-17(12-14-20)26-27-25(31)23-21(32-26)15-16-22(24(23)30)33-28(34-27,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,29-30H
InChIKeyVOZPWTWEJFKGCN-UHFFFAOYSA-N
XLogP5.54
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.45
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one?
The IUPAC name of 8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one (CID 141176168) is 8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one.
What is the SMILES notation for 8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one?
The canonical SMILES for 8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one is O=c1c2c(-c3ccc(O)cc3)oc3ccc(c(O)c13)OC(c1ccccc1)(c1ccccc1)O2.
What is the InChIKey of 8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one?
The InChIKey is VOZPWTWEJFKGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O6/c29-20-13-11-17(12-14-20)26-27-25(31)23-21(32-26)15-16-22(24(23)30)33-28(34-27,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,29-30H.
What are the key properties of 8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one?
8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one has a molecular weight of 450.45 g/mol, XLogP of 5.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one is sourced from PubChem (CID 141176168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).