2-(4-aminophenyl)-5,7-dimethylchromen-4-one

C17H15NO2 — CID 82046479

IUPAC2-(4-aminophenyl)-5,7-dimethylchromen-4-one
SMILESCc1cc(C)c2c(=O)cc(-c3ccc(N)cc3)oc2c1
InChIInChI=1S/C17H15NO2/c1-10-7-11(2)17-14(19)9-15(20-16(17)8-10)12-3-5-13(18)6-4-12/h3-9H,18H2,1-2H3
InChIKeyOCHMRJBKPNYNSH-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.66
Rot. Bonds1

About 2-(4-aminophenyl)-5,7-dimethylchromen-4-one

2-(4-aminophenyl)-5,7-dimethylchromen-4-one (PubChem CID 82046479) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5,7-dimethylchromen-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-5,7-dimethylchromen-4-one
PubChem CID82046479
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-(4-aminophenyl)-5,7-dimethylchromen-4-one
SMILESCc1cc(C)c2c(=O)cc(-c3ccc(N)cc3)oc2c1
InChIInChI=1S/C17H15NO2/c1-10-7-11(2)17-14(19)9-15(20-16(17)8-10)12-3-5-13(18)6-4-12/h3-9H,18H2,1-2H3
InChIKeyOCHMRJBKPNYNSH-UHFFFAOYSA-N
XLogP3.66
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-6-methylchromen-4-one
CID 10999496
5-amino-2-(4-aminophenyl)-6-bromochromen-4-one
CID 15346987
2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride
CID 82020794
5,7-dibromo-2-(4-methylphenyl)chromen-4-one
CID 162642889
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methylchromen-4-one
CID 162817904
6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one
CID 71739419
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one
CID 95048626
2-(4-aminophenyl)-6-chlorochromen-4-one
CID 82046480
(5-methyl-4-oxo-2-phenylchromen-7-yl) trifluoromethanesulfonate
CID 23401531
6-(4-aminophenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
CID 82046503

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-5,7-dimethylchromen-4-one?
The IUPAC name of 2-(4-aminophenyl)-5,7-dimethylchromen-4-one (CID 82046479) is 2-(4-aminophenyl)-5,7-dimethylchromen-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-5,7-dimethylchromen-4-one?
The canonical SMILES for 2-(4-aminophenyl)-5,7-dimethylchromen-4-one is Cc1cc(C)c2c(=O)cc(-c3ccc(N)cc3)oc2c1.
What is the InChIKey of 2-(4-aminophenyl)-5,7-dimethylchromen-4-one?
The InChIKey is OCHMRJBKPNYNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-10-7-11(2)17-14(19)9-15(20-16(17)8-10)12-3-5-13(18)6-4-12/h3-9H,18H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-5,7-dimethylchromen-4-one?
2-(4-aminophenyl)-5,7-dimethylchromen-4-one has a molecular weight of 265.31 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-5,7-dimethylchromen-4-one is sourced from PubChem (CID 82046479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).