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

C15H11NO3 — CID 10562817

IUPAC5-amino-2-(4-hydroxyphenyl)chromen-4-one
SMILESNc1cccc2oc(-c3ccc(O)cc3)cc(=O)c12
InChIInChI=1S/C15H11NO3/c16-11-2-1-3-13-15(11)12(18)8-14(19-13)9-4-6-10(17)7-5-9/h1-8,17H,16H2
InChIKeyYYEHVLMUHQDZMO-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.75
Rot. Bonds1

About 5-amino-2-(4-hydroxyphenyl)chromen-4-one

5-amino-2-(4-hydroxyphenyl)chromen-4-one (PubChem CID 10562817) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-amino-2-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-hydroxyphenyl)chromen-4-one
PubChem CID10562817
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name5-amino-2-(4-hydroxyphenyl)chromen-4-one
SMILESNc1cccc2oc(-c3ccc(O)cc3)cc(=O)c12
InChIInChI=1S/C15H11NO3/c16-11-2-1-3-13-15(11)12(18)8-14(19-13)9-4-6-10(17)7-5-9/h1-8,17H,16H2
InChIKeyYYEHVLMUHQDZMO-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 5-amino-2-(4-hydroxyphenyl)chromen-4-one (CID 10562817) is 5-amino-2-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 5-amino-2-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 5-amino-2-(4-hydroxyphenyl)chromen-4-one is Nc1cccc2oc(-c3ccc(O)cc3)cc(=O)c12.
What is the InChIKey of 5-amino-2-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is YYEHVLMUHQDZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c16-11-2-1-3-13-15(11)12(18)8-14(19-13)9-4-6-10(17)7-5-9/h1-8,17H,16H2.
What are the key properties of 5-amino-2-(4-hydroxyphenyl)chromen-4-one?
5-amino-2-(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 5-amino-2-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 10562817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).