5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one

C15H11NO4 — CID 14885021

IUPAC5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one
SMILESNc1cccc2oc(-c3cc(O)cc(O)c3)cc(=O)c12
InChIInChI=1S/C15H11NO4/c16-11-2-1-3-13-15(11)12(19)7-14(20-13)8-4-9(17)6-10(18)5-8/h1-7,17-18H,16H2
InChIKeyWAXZCTQJWREHEN-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.45
Rot. Bonds1

About 5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one

5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one (PubChem CID 14885021) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one
PubChem CID14885021
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one
SMILESNc1cccc2oc(-c3cc(O)cc(O)c3)cc(=O)c12
InChIInChI=1S/C15H11NO4/c16-11-2-1-3-13-15(11)12(19)7-14(20-13)8-4-9(17)6-10(18)5-8/h1-7,17-18H,16H2
InChIKeyWAXZCTQJWREHEN-UHFFFAOYSA-N
XLogP2.45
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one
CID 54435268
4-(5-amino-4-oxochromen-2-yl)benzoic acid
CID 10636519
5-amino-2-[4-(dimethylamino)phenyl]chromen-4-one
CID 10564703
2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one
CID 131834556
CID 172853606
CID 172853606
N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide
CID 70365465
5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one
CID 172994187
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862
5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
CID 155754085
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5480905
6-amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 11242643

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one?
The IUPAC name of 5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one (CID 14885021) is 5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one.
What is the SMILES notation for 5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one?
The canonical SMILES for 5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one is Nc1cccc2oc(-c3cc(O)cc(O)c3)cc(=O)c12.
What is the InChIKey of 5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one?
The InChIKey is WAXZCTQJWREHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c16-11-2-1-3-13-15(11)12(19)7-14(20-13)8-4-9(17)6-10(18)5-8/h1-7,17-18H,16H2.
What are the key properties of 5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one?
5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one has a molecular weight of 269.26 g/mol, XLogP of 2.45, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one is sourced from PubChem (CID 14885021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).