9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one

C16H10O5 — CID 927642

IUPAC9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one
SMILESO=c1cc(-c2ccccc2)oc2cc3c(c(O)c12)OCO3
InChIInChI=1S/C16H10O5/c17-10-6-11(9-4-2-1-3-5-9)21-12-7-13-16(20-8-19-13)15(18)14(10)12/h1-7,18H,8H2
InChIKeyNJIUXIXNVAHRDW-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.89
Rot. Bonds1

About 9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one

9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one (PubChem CID 927642) has the molecular formula C16H10O5 and a molecular weight of 282.25 g/mol. Its IUPAC name is 9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one.

Molecular Properties

Compound Name9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one
PubChem CID927642
Molecular FormulaC16H10O5
Molecular Weight282.25 g/mol
Exact Mass282.05
IUPAC Name9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one
SMILESO=c1cc(-c2ccccc2)oc2cc3c(c(O)c12)OCO3
InChIInChI=1S/C16H10O5/c17-10-6-11(9-4-2-1-3-5-9)21-12-7-13-16(20-8-19-13)15(18)14(10)12/h1-7,18H,8H2
InChIKeyNJIUXIXNVAHRDW-UHFFFAOYSA-N
XLogP2.89
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one?
The IUPAC name of 9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one (CID 927642) is 9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one.
What is the SMILES notation for 9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one?
The canonical SMILES for 9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one is O=c1cc(-c2ccccc2)oc2cc3c(c(O)c12)OCO3.
What is the InChIKey of 9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one?
The InChIKey is NJIUXIXNVAHRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O5/c17-10-6-11(9-4-2-1-3-5-9)21-12-7-13-16(20-8-19-13)15(18)14(10)12/h1-7,18H,8H2.
What are the key properties of 9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one?
9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one has a molecular weight of 282.25 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one is sourced from PubChem (CID 927642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).