7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one

C13H17NO3 — CID 163209041

IUPAC7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one
SMILESCCN(CC)c1ccc2c(c1)OC(=O)CC2O
InChIInChI=1S/C13H17NO3/c1-3-14(4-2)9-5-6-10-11(15)8-13(16)17-12(10)7-9/h5-7,11,15H,3-4,8H2,1-2H3
InChIKeyJIBJWSFLXRPXLX-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.88
Rot. Bonds3

About 7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one

7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one (PubChem CID 163209041) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one
PubChem CID163209041
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one
SMILESCCN(CC)c1ccc2c(c1)OC(=O)CC2O
InChIInChI=1S/C13H17NO3/c1-3-14(4-2)9-5-6-10-11(15)8-13(16)17-12(10)7-9/h5-7,11,15H,3-4,8H2,1-2H3
InChIKeyJIBJWSFLXRPXLX-UHFFFAOYSA-N
XLogP1.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-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

7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one
CID 163209113
7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one
CID 175219385
7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one
CID 163208936
7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one
CID 122394788
2-[3,6-bis(dimethylamino)-9H-xanthen-9-yl]-5-(diethylamino)phenol
CID 59211315
6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83822185
[3,6-bis(diethylamino)-9H-xanthen-9-yl]-(2-methylphenyl)methanone
CID 70402921
3-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]-N-methylpropanamide
CID 163208966
N-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide
CID 163208932
ethyl 7-(diethylamino)-2-oxo-3,4-dihydrochromene-3-carboxylate
CID 175647610
4-tert-butyl-N,N-diethyl-2-methyl-4H-chromen-7-amine
CID 87732141
(4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one
CID 171184224

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one?
The IUPAC name of 7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one (CID 163209041) is 7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one is CCN(CC)c1ccc2c(c1)OC(=O)CC2O.
What is the InChIKey of 7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one?
The InChIKey is JIBJWSFLXRPXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-14(4-2)9-5-6-10-11(15)8-13(16)17-12(10)7-9/h5-7,11,15H,3-4,8H2,1-2H3.
What are the key properties of 7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one?
7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one has a molecular weight of 235.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one is sourced from PubChem (CID 163209041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).