7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one

C16H12FNO3 — CID 80752233

IUPAC7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(Oc3cc(N)cc(F)c3)ccc12
InChIInChI=1S/C16H12FNO3/c1-9-4-16(19)21-15-8-12(2-3-14(9)15)20-13-6-10(17)5-11(18)7-13/h2-8H,18H2,1H3
InChIKeyMGWVJHMFMZSYII-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.62
Rot. Bonds2

About 7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one

7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one (PubChem CID 80752233) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one.

Molecular Properties

Compound Name7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one
PubChem CID80752233
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(Oc3cc(N)cc(F)c3)ccc12
InChIInChI=1S/C16H12FNO3/c1-9-4-16(19)21-15-8-12(2-3-14(9)15)20-13-6-10(17)5-11(18)7-13/h2-8H,18H2,1H3
InChIKeyMGWVJHMFMZSYII-UHFFFAOYSA-N
XLogP3.62
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one
CID 80866814
7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 16782298
bis(4-methyl-2-oxochromen-7-yl) sulfate
CID 15217418
7-amino-4-methylchromen-2-one;formyl chloride
CID 175535632
7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one
CID 87105987
sodium bis(4-methyl-2-oxochromen-7-yl) phosphate
CID 23674452
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527
(4-methyl-2-oxochromen-7-yl) trifluoromethanesulfonate
CID 59776431
(4-methyl-2-oxochromen-7-yl) 2-[4-(3,5-dimethylphenoxy)phenoxy]acetate
CID 18870497
7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 788625
potassium (4-methyl-2-oxochromen-7-yl) sulfate
CID 5044226
diethyl (4-methyl-2-oxochromen-7-yl) phosphate
CID 13477

Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one?
The IUPAC name of 7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one (CID 80752233) is 7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one.
What is the SMILES notation for 7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one?
The canonical SMILES for 7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one is Cc1cc(=O)oc2cc(Oc3cc(N)cc(F)c3)ccc12.
What is the InChIKey of 7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one?
The InChIKey is MGWVJHMFMZSYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c1-9-4-16(19)21-15-8-12(2-3-14(9)15)20-13-6-10(17)5-11(18)7-13/h2-8H,18H2,1H3.
What are the key properties of 7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one?
7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one has a molecular weight of 285.27 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one is sourced from PubChem (CID 80752233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).