2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one

C17H15NO3 — CID 71421837

IUPAC2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one
SMILESCOc1cccc2oc(-c3ccc(C)c(N)c3)cc(=O)c12
InChIInChI=1S/C17H15NO3/c1-10-6-7-11(8-12(10)18)16-9-13(19)17-14(20-2)4-3-5-15(17)21-16/h3-9H,18H2,1-2H3
InChIKeyYHROEINXQFJYPE-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.36
Rot. Bonds2

About 2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one

2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one (PubChem CID 71421837) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one.

Molecular Properties

Compound Name2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one
PubChem CID71421837
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one
SMILESCOc1cccc2oc(-c3ccc(C)c(N)c3)cc(=O)c12
InChIInChI=1S/C17H15NO3/c1-10-6-7-11(8-12(10)18)16-9-13(19)17-14(20-2)4-3-5-15(17)21-16/h3-9H,18H2,1-2H3
InChIKeyYHROEINXQFJYPE-UHFFFAOYSA-N
XLogP3.36
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.36
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-(3,4-dichlorophenyl)-5-methoxychromen-4-one
CID 10041721
5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 18761939
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 12794885
2-amino-5-methoxychromen-4-one
CID 134860119
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 100995351
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 72705992
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl] acetate
CID 71413141
5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one
CID 54435268
5-methoxy-4-methylchromen-2-one
CID 11286956

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one?
The IUPAC name of 2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one (CID 71421837) is 2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one.
What is the SMILES notation for 2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one?
The canonical SMILES for 2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one is COc1cccc2oc(-c3ccc(C)c(N)c3)cc(=O)c12.
What is the InChIKey of 2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one?
The InChIKey is YHROEINXQFJYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-10-6-7-11(8-12(10)18)16-9-13(19)17-14(20-2)4-3-5-15(17)21-16/h3-9H,18H2,1-2H3.
What are the key properties of 2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one?
2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one has a molecular weight of 281.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one is sourced from PubChem (CID 71421837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).