7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one

C17H17NO4 — CID 82046281

IUPAC7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1cccc(C2CC(=O)c3ccc(N)cc3O2)c1OC
InChIInChI=1S/C17H17NO4/c1-20-14-5-3-4-12(17(14)21-2)16-9-13(19)11-7-6-10(18)8-15(11)22-16/h3-8,16H,9,18H2,1-2H3
InChIKeyJSYLTDZKLWIKJK-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.99
Rot. Bonds3

About 7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one

7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 82046281) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID82046281
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1cccc(C2CC(=O)c3ccc(N)cc3O2)c1OC
InChIInChI=1S/C17H17NO4/c1-20-14-5-3-4-12(17(14)21-2)16-9-13(19)11-7-6-10(18)8-15(11)22-16/h3-8,16H,9,18H2,1-2H3
InChIKeyJSYLTDZKLWIKJK-UHFFFAOYSA-N
XLogP2.99
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 688727
2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 85087212
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
(4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946218
7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114674776
2-naphthalen-1-yl-2,3-dihydrochromen-4-one
CID 12753196
2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672447
(2R)-7-hydroxy-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 57484831
7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114673081
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 16655803

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one (CID 82046281) is 7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one is COc1cccc(C2CC(=O)c3ccc(N)cc3O2)c1OC.
What is the InChIKey of 7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is JSYLTDZKLWIKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-20-14-5-3-4-12(17(14)21-2)16-9-13(19)11-7-6-10(18)8-15(11)22-16/h3-8,16H,9,18H2,1-2H3.
What are the key properties of 7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one?
7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 299.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 82046281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).