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

C15H16O4 — CID 10923264

IUPAC7-methoxy-5-methyl-2-(2-oxobutyl)chromen-4-one
SMILESCCC(=O)Cc1cc(=O)c2c(C)cc(OC)cc2o1
InChIInChI=1S/C15H16O4/c1-4-10(16)6-12-7-13(17)15-9(2)5-11(18-3)8-14(15)19-12/h5,7-8H,4,6H2,1-3H3
InChIKeyYLXSJYWMSAGXFF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.63
Rot. Bonds4

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

7-methoxy-5-methyl-2-(2-oxobutyl)chromen-4-one (PubChem CID 10923264) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 7-methoxy-5-methyl-2-(2-oxobutyl)chromen-4-one.

Molecular Properties

Compound Name7-methoxy-5-methyl-2-(2-oxobutyl)chromen-4-one
PubChem CID10923264
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name7-methoxy-5-methyl-2-(2-oxobutyl)chromen-4-one
SMILESCCC(=O)Cc1cc(=O)c2c(C)cc(OC)cc2o1
InChIInChI=1S/C15H16O4/c1-4-10(16)6-12-7-13(17)15-9(2)5-11(18-3)8-14(15)19-12/h5,7-8H,4,6H2,1-3H3
InChIKeyYLXSJYWMSAGXFF-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-(2-oxobutyl)chromen-4-one?
The IUPAC name of 7-methoxy-5-methyl-2-(2-oxobutyl)chromen-4-one (CID 10923264) is 7-methoxy-5-methyl-2-(2-oxobutyl)chromen-4-one.
What is the SMILES notation for 7-methoxy-5-methyl-2-(2-oxobutyl)chromen-4-one?
The canonical SMILES for 7-methoxy-5-methyl-2-(2-oxobutyl)chromen-4-one is CCC(=O)Cc1cc(=O)c2c(C)cc(OC)cc2o1.
What is the InChIKey of 7-methoxy-5-methyl-2-(2-oxobutyl)chromen-4-one?
The InChIKey is YLXSJYWMSAGXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-4-10(16)6-12-7-13(17)15-9(2)5-11(18-3)8-14(15)19-12/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 7-methoxy-5-methyl-2-(2-oxobutyl)chromen-4-one?
7-methoxy-5-methyl-2-(2-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-(2-oxobutyl)chromen-4-one is sourced from PubChem (CID 10923264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).