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

C15H11NO4 — CID 23939370

IUPAC4-(4-aminophenyl)-5,7-dihydroxychromen-2-one
SMILESNc1ccc(-c2cc(=O)oc3cc(O)cc(O)c23)cc1
InChIInChI=1S/C15H11NO4/c16-9-3-1-8(2-4-9)11-7-14(19)20-13-6-10(17)5-12(18)15(11)13/h1-7,17-18H,16H2
InChIKeyQEOWZDRZMWBCBP-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.45
Rot. Bonds1

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

4-(4-aminophenyl)-5,7-dihydroxychromen-2-one (PubChem CID 23939370) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-(4-aminophenyl)-5,7-dihydroxychromen-2-one.

Molecular Properties

Compound Name4-(4-aminophenyl)-5,7-dihydroxychromen-2-one
PubChem CID23939370
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name4-(4-aminophenyl)-5,7-dihydroxychromen-2-one
SMILESNc1ccc(-c2cc(=O)oc3cc(O)cc(O)c23)cc1
InChIInChI=1S/C15H11NO4/c16-9-3-1-8(2-4-9)11-7-14(19)20-13-6-10(17)5-12(18)15(11)13/h1-7,17-18H,16H2
InChIKeyQEOWZDRZMWBCBP-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'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 4-(4-aminophenyl)-5,7-dihydroxychromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-5,7-dihydroxychromen-2-one
CID 11379152
CID 66722646
CID 66722646
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
4-(4-hydroxyphenyl)chromen-2-one
CID 87209427
calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
CID 173012040
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
4-cyclohexyl-5,7-dihydroxychromen-2-one
CID 87573442
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 175755297
3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one
CID 14916297
actinium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 20670067
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium
CID 175525833

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-5,7-dihydroxychromen-2-one?
The IUPAC name of 4-(4-aminophenyl)-5,7-dihydroxychromen-2-one (CID 23939370) is 4-(4-aminophenyl)-5,7-dihydroxychromen-2-one.
What is the SMILES notation for 4-(4-aminophenyl)-5,7-dihydroxychromen-2-one?
The canonical SMILES for 4-(4-aminophenyl)-5,7-dihydroxychromen-2-one is Nc1ccc(-c2cc(=O)oc3cc(O)cc(O)c23)cc1.
What is the InChIKey of 4-(4-aminophenyl)-5,7-dihydroxychromen-2-one?
The InChIKey is QEOWZDRZMWBCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c16-9-3-1-8(2-4-9)11-7-14(19)20-13-6-10(17)5-12(18)15(11)13/h1-7,17-18H,16H2.
What are the key properties of 4-(4-aminophenyl)-5,7-dihydroxychromen-2-one?
4-(4-aminophenyl)-5,7-dihydroxychromen-2-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 4-(4-aminophenyl)-5,7-dihydroxychromen-2-one is sourced from PubChem (CID 23939370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).