3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one

C19H17O5P — CID 91148528

IUPAC3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one
SMILESCc1cc(C)c2c(=O)c(C)c(-c3ccc4c(c3)OP(C)(=O)O4)oc2c1
InChIInChI=1S/C19H17O5P/c1-10-7-11(2)17-16(8-10)22-19(12(3)18(17)20)13-5-6-14-15(9-13)24-25(4,21)23-14/h5-9H,1-4H3
InChIKeyWDGMYICQTGAZGY-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.98
Rot. Bonds1

About 3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one

3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one (PubChem CID 91148528) has the molecular formula C19H17O5P and a molecular weight of 356.31 g/mol. Its IUPAC name is 3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one.

Molecular Properties

Compound Name3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one
PubChem CID91148528
Molecular FormulaC19H17O5P
Molecular Weight356.31 g/mol
Exact Mass356.08
IUPAC Name3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one
SMILESCc1cc(C)c2c(=O)c(C)c(-c3ccc4c(c3)OP(C)(=O)O4)oc2c1
InChIInChI=1S/C19H17O5P/c1-10-7-11(2)17-16(8-10)22-19(12(3)18(17)20)13-5-6-14-15(9-13)24-25(4,21)23-14/h5-9H,1-4H3
InChIKeyWDGMYICQTGAZGY-UHFFFAOYSA-N
XLogP4.98
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one?
The IUPAC name of 3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one (CID 91148528) is 3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one.
What is the SMILES notation for 3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one?
The canonical SMILES for 3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one is Cc1cc(C)c2c(=O)c(C)c(-c3ccc4c(c3)OP(C)(=O)O4)oc2c1.
What is the InChIKey of 3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one?
The InChIKey is WDGMYICQTGAZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17O5P/c1-10-7-11(2)17-16(8-10)22-19(12(3)18(17)20)13-5-6-14-15(9-13)24-25(4,21)23-14/h5-9H,1-4H3.
What are the key properties of 3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one?
3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one has a molecular weight of 356.31 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one is sourced from PubChem (CID 91148528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).