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

C15H11NO3 — CID 10422373

IUPAC2-(3-amino-4-hydroxyphenyl)chromen-4-one
SMILESNc1cc(-c2cc(=O)c3ccccc3o2)ccc1O
InChIInChI=1S/C15H11NO3/c16-11-7-9(5-6-12(11)17)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-8,17H,16H2
InChIKeyHHYOPFRQOMXETP-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.75
Rot. Bonds1

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

2-(3-amino-4-hydroxyphenyl)chromen-4-one (PubChem CID 10422373) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(3-amino-4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(3-amino-4-hydroxyphenyl)chromen-4-one
PubChem CID10422373
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(3-amino-4-hydroxyphenyl)chromen-4-one
SMILESNc1cc(-c2cc(=O)c3ccccc3o2)ccc1O
InChIInChI=1S/C15H11NO3/c16-11-7-9(5-6-12(11)17)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-8,17H,16H2
InChIKeyHHYOPFRQOMXETP-UHFFFAOYSA-N
XLogP2.75
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one
CID 170553002
2-phenylchromen-4-one
CID 90124083
copper;2-phenylchromen-4-one
CID 175169427
CID 159796273
CID 159796273
2-(4-nitrophenyl)chromen-4-one
CID 622510
5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one
CID 54435268
2-(4-acetylphenyl)chromen-4-one
CID 66553887
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
2-(5-bromo-2-hydroxyphenyl)chromen-4-one
CID 146365267
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one
CID 10521834
6-[6-[6-[2,3-dihydroxy-6-(4-oxochromen-2-yl)phenyl]-5,7-dihydroxy-4-oxochromen-2-yl]-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 171431160

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 2-(3-amino-4-hydroxyphenyl)chromen-4-one (CID 10422373) is 2-(3-amino-4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 2-(3-amino-4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 2-(3-amino-4-hydroxyphenyl)chromen-4-one is Nc1cc(-c2cc(=O)c3ccccc3o2)ccc1O.
What is the InChIKey of 2-(3-amino-4-hydroxyphenyl)chromen-4-one?
The InChIKey is HHYOPFRQOMXETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c16-11-7-9(5-6-12(11)17)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-8,17H,16H2.
What are the key properties of 2-(3-amino-4-hydroxyphenyl)chromen-4-one?
2-(3-amino-4-hydroxyphenyl)chromen-4-one has a molecular weight of 253.26 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 10422373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).