2-(2-amino-3-ethoxyphenyl)chromen-4-one

C17H15NO3 — CID 118711554

IUPAC2-(2-amino-3-ethoxyphenyl)chromen-4-one
SMILESCCOc1cccc(-c2cc(=O)c3ccccc3o2)c1N
InChIInChI=1S/C17H15NO3/c1-2-20-15-9-5-7-12(17(15)18)16-10-13(19)11-6-3-4-8-14(11)21-16/h3-10H,2,18H2,1H3
InChIKeyRPRXTMMATKGDLA-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.44
Rot. Bonds3

About 2-(2-amino-3-ethoxyphenyl)chromen-4-one

2-(2-amino-3-ethoxyphenyl)chromen-4-one (PubChem CID 118711554) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2-amino-3-ethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(2-amino-3-ethoxyphenyl)chromen-4-one
PubChem CID118711554
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(2-amino-3-ethoxyphenyl)chromen-4-one
SMILESCCOc1cccc(-c2cc(=O)c3ccccc3o2)c1N
InChIInChI=1S/C17H15NO3/c1-2-20-15-9-5-7-12(17(15)18)16-10-13(19)11-6-3-4-8-14(11)21-16/h3-10H,2,18H2,1H3
InChIKeyRPRXTMMATKGDLA-UHFFFAOYSA-N
XLogP3.44
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one
CID 4713
3'-Methoxy-4'-nitroflavone
CID 10017512
4H-1-Benzopyran-4-one, 3-amino-2-(3-amino-4-methoxyphenyl)-
CID 154850
6-Methoxy-2-(2-nitrophenyl)chromen-4-one
CID 742549
2-(2-Aminophenyl)-6-methylchromen-4-one
CID 11107795
2-(4-Aminophenyl)-6-(2-fluoroethoxy)chromen-4-one
CID 44590883
(E)-3-(3-Amino-4-hydroxybenzylidene)chroman-4-one
CID 52936300
(E)-3-(4-Aminobenzylidene)chroman-4-one
CID 52937826
3-(4-Aminophenyl)-4H-chromen-4-one
CID 11564931
6-Amino-2-(3-methoxyphenyl)chromen-4-one
CID 23001741
6-Amino-3-methoxy-2-(3-methoxyphenyl)chromen-4-one
CID 49864011
N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide
CID 10333913

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-ethoxyphenyl)chromen-4-one?
The IUPAC name of 2-(2-amino-3-ethoxyphenyl)chromen-4-one (CID 118711554) is 2-(2-amino-3-ethoxyphenyl)chromen-4-one.
What is the SMILES notation for 2-(2-amino-3-ethoxyphenyl)chromen-4-one?
The canonical SMILES for 2-(2-amino-3-ethoxyphenyl)chromen-4-one is CCOc1cccc(-c2cc(=O)c3ccccc3o2)c1N.
What is the InChIKey of 2-(2-amino-3-ethoxyphenyl)chromen-4-one?
The InChIKey is RPRXTMMATKGDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-20-15-9-5-7-12(17(15)18)16-10-13(19)11-6-3-4-8-14(11)21-16/h3-10H,2,18H2,1H3.
What are the key properties of 2-(2-amino-3-ethoxyphenyl)chromen-4-one?
2-(2-amino-3-ethoxyphenyl)chromen-4-one has a molecular weight of 281.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-ethoxyphenyl)chromen-4-one is sourced from PubChem (CID 118711554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).