7-[(7-methoxy-6-methyl-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-4-methyl-3-phenylchromen-2-one

C24H20O8 — CID 88590426

IUPAC7-[(7-methoxy-6-methyl-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-4-methyl-3-phenylchromen-2-one
SMILESCOC1=C(C)OC(Oc2ccc3c(C)c(-c4ccccc4)c(=O)oc3c2)C2OC(=O)OC12
InChIInChI=1S/C24H20O8/c1-12-16-10-9-15(11-17(16)30-22(25)18(12)14-7-5-4-6-8-14)29-23-21-20(31-24(26)32-21)19(27-3)13(2)28-23/h4-11,20-21,23H,1-3H3
InChIKeyKJRFRXKIGAYWNA-UHFFFAOYSA-N
MW436.42 g/mol
LogP4.29
Rot. Bonds4

About 7-[(7-methoxy-6-methyl-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-4-methyl-3-phenylchromen-2-one

7-[(7-methoxy-6-methyl-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-4-methyl-3-phenylchromen-2-one (PubChem CID 88590426) has the molecular formula C24H20O8 and a molecular weight of 436.42 g/mol. Its IUPAC name is 7-[(7-methoxy-6-methyl-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-4-methyl-3-phenylchromen-2-one.

Molecular Properties

Compound Name7-[(7-methoxy-6-methyl-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-4-methyl-3-phenylchromen-2-one
PubChem CID88590426
Molecular FormulaC24H20O8
Molecular Weight436.42 g/mol
Exact Mass436.12
IUPAC Name7-[(7-methoxy-6-methyl-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-4-methyl-3-phenylchromen-2-one
SMILESCOC1=C(C)OC(Oc2ccc3c(C)c(-c4ccccc4)c(=O)oc3c2)C2OC(=O)OC12
InChIInChI=1S/C24H20O8/c1-12-16-10-9-15(11-17(16)30-22(25)18(12)14-7-5-4-6-8-14)29-23-21-20(31-24(26)32-21)19(27-3)13(2)28-23/h4-11,20-21,23H,1-3H3
InChIKeyKJRFRXKIGAYWNA-UHFFFAOYSA-N
XLogP4.29
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(7-methoxy-6-methyl-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-4-methyl-3-phenylchromen-2-one?
The IUPAC name of 7-[(7-methoxy-6-methyl-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-4-methyl-3-phenylchromen-2-one (CID 88590426) is 7-[(7-methoxy-6-methyl-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-4-methyl-3-phenylchromen-2-one.
What is the SMILES notation for 7-[(7-methoxy-6-methyl-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-4-methyl-3-phenylchromen-2-one?
The canonical SMILES for 7-[(7-methoxy-6-methyl-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-4-methyl-3-phenylchromen-2-one is COC1=C(C)OC(Oc2ccc3c(C)c(-c4ccccc4)c(=O)oc3c2)C2OC(=O)OC12.
What is the InChIKey of 7-[(7-methoxy-6-methyl-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-4-methyl-3-phenylchromen-2-one?
The InChIKey is KJRFRXKIGAYWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O8/c1-12-16-10-9-15(11-17(16)30-22(25)18(12)14-7-5-4-6-8-14)29-23-21-20(31-24(26)32-21)19(27-3)13(2)28-23/h4-11,20-21,23H,1-3H3.
What are the key properties of 7-[(7-methoxy-6-methyl-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-4-methyl-3-phenylchromen-2-one?
7-[(7-methoxy-6-methyl-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-4-methyl-3-phenylchromen-2-one has a molecular weight of 436.42 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(7-methoxy-6-methyl-2-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-4-methyl-3-phenylchromen-2-one is sourced from PubChem (CID 88590426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).