7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one

C15H16O4 — CID 11747338

IUPAC7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one
SMILESCOc1cc(C)c2c(=O)cc(CCC(C)=O)oc2c1
InChIInChI=1S/C15H16O4/c1-9-6-12(18-3)8-14-15(9)13(17)7-11(19-14)5-4-10(2)16/h6-8H,4-5H2,1-3H3
InChIKeyIEUXCWSOIUELEF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.63
Rot. Bonds4

About 7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one

7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one (PubChem CID 11747338) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one.

Molecular Properties

Compound Name7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one
PubChem CID11747338
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one
SMILESCOc1cc(C)c2c(=O)cc(CCC(C)=O)oc2c1
InChIInChI=1S/C15H16O4/c1-9-6-12(18-3)8-14-15(9)13(17)7-11(19-14)5-4-10(2)16/h6-8H,4-5H2,1-3H3
InChIKeyIEUXCWSOIUELEF-UHFFFAOYSA-N
XLogP2.63
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one?
The IUPAC name of 7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one (CID 11747338) is 7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one.
What is the SMILES notation for 7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one?
The canonical SMILES for 7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one is COc1cc(C)c2c(=O)cc(CCC(C)=O)oc2c1.
What is the InChIKey of 7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one?
The InChIKey is IEUXCWSOIUELEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-9-6-12(18-3)8-14-15(9)13(17)7-11(19-14)5-4-10(2)16/h6-8H,4-5H2,1-3H3.
What are the key properties of 7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one?
7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one has a molecular weight of 260.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one is sourced from PubChem (CID 11747338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).