7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one

C22H25NO5 — CID 141398776

IUPAC7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one
SMILESCCN(CC)CCOc1ccc2c(O)c(-c3ccc(OC)cc3)c(=O)oc2c1
InChIInChI=1S/C22H25NO5/c1-4-23(5-2)12-13-27-17-10-11-18-19(14-17)28-22(25)20(21(18)24)15-6-8-16(26-3)9-7-15/h6-11,14,24H,4-5,12-13H2,1-3H3
InChIKeyGKRHMXXFOANEGE-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.89
Rot. Bonds8

About 7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one

7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one (PubChem CID 141398776) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one.

Molecular Properties

Compound Name7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one
PubChem CID141398776
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one
SMILESCCN(CC)CCOc1ccc2c(O)c(-c3ccc(OC)cc3)c(=O)oc2c1
InChIInChI=1S/C22H25NO5/c1-4-23(5-2)12-13-27-17-10-11-18-19(14-17)28-22(25)20(21(18)24)15-6-8-16(26-3)9-7-15/h6-11,14,24H,4-5,12-13H2,1-3H3
InChIKeyGKRHMXXFOANEGE-UHFFFAOYSA-N
XLogP3.89
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one?
The IUPAC name of 7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one (CID 141398776) is 7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one.
What is the SMILES notation for 7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one?
The canonical SMILES for 7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one is CCN(CC)CCOc1ccc2c(O)c(-c3ccc(OC)cc3)c(=O)oc2c1.
What is the InChIKey of 7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one?
The InChIKey is GKRHMXXFOANEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-4-23(5-2)12-13-27-17-10-11-18-19(14-17)28-22(25)20(21(18)24)15-6-8-16(26-3)9-7-15/h6-11,14,24H,4-5,12-13H2,1-3H3.
What are the key properties of 7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one?
7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one has a molecular weight of 383.44 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one is sourced from PubChem (CID 141398776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).