7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one

C15H13NO3 — CID 138485078

IUPAC7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESNc1cc(O)c2c(c1)OC(c1ccccc1)CC2=O
InChIInChI=1S/C15H13NO3/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,17H,8,16H2
InChIKeyLBEYUVHIXXSXLO-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.68
Rot. Bonds1

About 7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one

7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 138485078) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID138485078
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESNc1cc(O)c2c(c1)OC(c1ccccc1)CC2=O
InChIInChI=1S/C15H13NO3/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,17H,8,16H2
InChIKeyLBEYUVHIXXSXLO-UHFFFAOYSA-N
XLogP2.68
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-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

(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
CID 143810700
5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 122581168
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 11483087
5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one
CID 54587409
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one
CID 10015092
2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one
CID 53461819
5-phenyloxolane-2,3-dione
CID 14450727
[4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] benzoate
CID 169224026
5-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 157023353
7-ethyl-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 143737118

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one (CID 138485078) is 7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one is Nc1cc(O)c2c(c1)OC(c1ccccc1)CC2=O.
What is the InChIKey of 7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is LBEYUVHIXXSXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,17H,8,16H2.
What are the key properties of 7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one?
7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 255.27 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 138485078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).