4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one

C15H16O4 — CID 64866959

IUPAC4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one
SMILESCCC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C15H16O4/c1-4-13(16)10(3)18-11-5-6-12-9(2)7-15(17)19-14(12)8-11/h5-8,10H,4H2,1-3H3
InChIKeyAMUVODPYFAAMCK-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.85
Rot. Bonds4

About 4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one

4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one (PubChem CID 64866959) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one
PubChem CID64866959
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one
SMILESCCC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C15H16O4/c1-4-13(16)10(3)18-11-5-6-12-9(2)7-15(17)19-14(12)8-11/h5-8,10H,4H2,1-3H3
InChIKeyAMUVODPYFAAMCK-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
2-methylpropyl 2-(4-methyl-2-oxochromen-7-yl)oxypropanoate
CID 23883278
2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid
CID 728602
2-(4-methyl-2-oxochromen-7-yl)oxybutanoic acid
CID 5006942
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
7-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967902
(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 928071
(2S)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 7299769
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one?
The IUPAC name of 4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one (CID 64866959) is 4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one.
What is the SMILES notation for 4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one?
The canonical SMILES for 4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one is CCC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one?
The InChIKey is AMUVODPYFAAMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-4-13(16)10(3)18-11-5-6-12-9(2)7-15(17)19-14(12)8-11/h5-8,10H,4H2,1-3H3.
What are the key properties of 4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one?
4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one has a molecular weight of 260.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one is sourced from PubChem (CID 64866959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).