7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one

C24H21NO4 — CID 46898624

IUPAC7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCCNCc3ccccc3)cc(O)c12
InChIInChI=1S/C24H21NO4/c26-20-13-19(28-12-11-25-16-17-7-3-1-4-8-17)14-23-24(20)21(27)15-22(29-23)18-9-5-2-6-10-18/h1-10,13-15,25-26H,11-12,16H2
InChIKeyUGTAEEDXXHGVEO-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.33
Rot. Bonds7

About 7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one

7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one (PubChem CID 46898624) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one
PubChem CID46898624
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCCNCc3ccccc3)cc(O)c12
InChIInChI=1S/C24H21NO4/c26-20-13-19(28-12-11-25-16-17-7-3-1-4-8-17)14-23-24(20)21(27)15-22(29-23)18-9-5-2-6-10-18/h1-10,13-15,25-26H,11-12,16H2
InChIKeyUGTAEEDXXHGVEO-UHFFFAOYSA-N
XLogP4.33
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one
CID 134122328
7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915
7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
CID 6029612
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702
5-hydroxy-2-phenyl-7-(3-phenylprop-2-enoxy)chromen-4-one
CID 6802595
4-bromobutyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
CID 53486698
6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one
CID 171061853
5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one
CID 68755771
7-(4-bromo-2,4-dimethylpentan-2-yl)oxy-5-hydroxy-2-phenylchromen-4-one
CID 91144753
2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide
CID 46231884

Frequently Asked Questions

What is the IUPAC name of 7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one?
The IUPAC name of 7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one (CID 46898624) is 7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one?
The canonical SMILES for 7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cc(OCCNCc3ccccc3)cc(O)c12.
What is the InChIKey of 7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one?
The InChIKey is UGTAEEDXXHGVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c26-20-13-19(28-12-11-25-16-17-7-3-1-4-8-17)14-23-24(20)21(27)15-22(29-23)18-9-5-2-6-10-18/h1-10,13-15,25-26H,11-12,16H2.
What are the key properties of 7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one?
7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one has a molecular weight of 387.44 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 46898624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).