7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one

C15H21NO3 — CID 141195372

IUPAC7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one
SMILESCCN(CC)CCOc1ccc2c(c1)OCCC2=O
InChIInChI=1S/C15H21NO3/c1-3-16(4-2)8-10-18-12-5-6-13-14(17)7-9-19-15(13)11-12/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyNBNATKHXBBQTDJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.37
Rot. Bonds6

About 7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one

7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one (PubChem CID 141195372) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one
PubChem CID141195372
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one
SMILESCCN(CC)CCOc1ccc2c(c1)OCCC2=O
InChIInChI=1S/C15H21NO3/c1-3-16(4-2)8-10-18-12-5-6-13-14(17)7-9-19-15(13)11-12/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyNBNATKHXBBQTDJ-UHFFFAOYSA-N
XLogP2.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one?
The IUPAC name of 7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one (CID 141195372) is 7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one is CCN(CC)CCOc1ccc2c(c1)OCCC2=O.
What is the InChIKey of 7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one?
The InChIKey is NBNATKHXBBQTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-16(4-2)8-10-18-12-5-6-13-14(17)7-9-19-15(13)11-12/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one?
7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one has a molecular weight of 263.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 141195372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).