7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one

C17H15NO4 — CID 143848879

IUPAC7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one
SMILESNCCOc1ccc2c(-c3ccccc3)cc(=O)oc2c1O
InChIInChI=1S/C17H15NO4/c18-8-9-21-14-7-6-12-13(11-4-2-1-3-5-11)10-15(19)22-17(12)16(14)20/h1-7,10,20H,8-9,18H2
InChIKeyIVOYMVBCXNBRBR-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.50
Rot. Bonds4

About 7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one

7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one (PubChem CID 143848879) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one
PubChem CID143848879
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one
SMILESNCCOc1ccc2c(-c3ccccc3)cc(=O)oc2c1O
InChIInChI=1S/C17H15NO4/c18-8-9-21-14-7-6-12-13(11-4-2-1-3-5-11)10-15(19)22-17(12)16(14)20/h1-7,10,20H,8-9,18H2
InChIKeyIVOYMVBCXNBRBR-UHFFFAOYSA-N
XLogP2.50
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[4-(3-(18F)fluoropropyl)triazol-1-yl]ethoxy]-8-hydroxy-4-phenylchromen-2-one
CID 58160299
8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one
CID 86651374
7,8-bis[(4-fluorophenyl)methoxy]-4-phenylchromen-2-one
CID 2365309
8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one
CID 3267519
7-[2-(4-bromophenyl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one
CID 4914745
2-methyl-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxypropanoic acid
CID 20991063
8-[(dimethylamino)methyl]-7-hydroxy-4-phenylchromen-2-one
CID 5395997
8-methyl-7-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]-4-phenylchromen-2-one
CID 46933175
8-methyl-4-phenyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CID 162901540
(2R)-2-[(7-hydroxy-2-oxo-4-phenylchromen-8-yl)methylazaniumyl]propanoate
CID 6951436
8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one
CID 24661852
8-(2-fluoroethoxy)-7-(oxan-2-yloxy)-4-phenylchromen-2-one
CID 86651375

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one?
The IUPAC name of 7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one (CID 143848879) is 7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one.
What is the SMILES notation for 7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one?
The canonical SMILES for 7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one is NCCOc1ccc2c(-c3ccccc3)cc(=O)oc2c1O.
What is the InChIKey of 7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one?
The InChIKey is IVOYMVBCXNBRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c18-8-9-21-14-7-6-12-13(11-4-2-1-3-5-11)10-15(19)22-17(12)16(14)20/h1-7,10,20H,8-9,18H2.
What are the key properties of 7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one?
7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one has a molecular weight of 297.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one is sourced from PubChem (CID 143848879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).