5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isochromen-7-one

C19H16O7 — CID 11100364

IUPAC5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isochromen-7-one
SMILESCOc1cc(-c2oc(=O)cc3cc4c(cc23)OCO4)cc(OC)c1OC
InChIInChI=1S/C19H16O7/c1-21-15-5-11(6-16(22-2)19(15)23-3)18-12-8-14-13(24-9-25-14)4-10(12)7-17(20)26-18/h4-8H,9H2,1-3H3
InChIKeyAFNMVBGXQXTTGR-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.21
Rot. Bonds4

About 5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isochromen-7-one

5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isochromen-7-one (PubChem CID 11100364) has the molecular formula C19H16O7 and a molecular weight of 356.33 g/mol. Its IUPAC name is 5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isochromen-7-one.

Molecular Properties

Compound Name5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isochromen-7-one
PubChem CID11100364
Molecular FormulaC19H16O7
Molecular Weight356.33 g/mol
Exact Mass356.09
IUPAC Name5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isochromen-7-one
SMILESCOc1cc(-c2oc(=O)cc3cc4c(cc23)OCO4)cc(OC)c1OC
InChIInChI=1S/C19H16O7/c1-21-15-5-11(6-16(22-2)19(15)23-3)18-12-8-14-13(24-9-25-14)4-10(12)7-17(20)26-18/h4-8H,9H2,1-3H3
InChIKeyAFNMVBGXQXTTGR-UHFFFAOYSA-N
XLogP3.21
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isochromen-7-one?
The IUPAC name of 5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isochromen-7-one (CID 11100364) is 5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isochromen-7-one.
What is the SMILES notation for 5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isochromen-7-one?
The canonical SMILES for 5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isochromen-7-one is COc1cc(-c2oc(=O)cc3cc4c(cc23)OCO4)cc(OC)c1OC.
What is the InChIKey of 5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isochromen-7-one?
The InChIKey is AFNMVBGXQXTTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O7/c1-21-15-5-11(6-16(22-2)19(15)23-3)18-12-8-14-13(24-9-25-14)4-10(12)7-17(20)26-18/h4-8H,9H2,1-3H3.
What are the key properties of 5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isochromen-7-one?
5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isochromen-7-one has a molecular weight of 356.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isochromen-7-one is sourced from PubChem (CID 11100364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).