4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one

C14H17NO4 — CID 60685720

IUPAC4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one
SMILESCCN(CCO)Cc1cc(=O)oc2cc(O)ccc12
InChIInChI=1S/C14H17NO4/c1-2-15(5-6-16)9-10-7-14(18)19-13-8-11(17)3-4-12(10)13/h3-4,7-8,16-17H,2,5-6,9H2,1H3
InChIKeyHHNOCGJPIABQJR-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.31
Rot. Bonds5

About 4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one

4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one (PubChem CID 60685720) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one.

Molecular Properties

Compound Name4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one
PubChem CID60685720
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one
SMILESCCN(CCO)Cc1cc(=O)oc2cc(O)ccc12
InChIInChI=1S/C14H17NO4/c1-2-15(5-6-16)9-10-7-14(18)19-13-8-11(17)3-4-12(10)13/h3-4,7-8,16-17H,2,5-6,9H2,1H3
InChIKeyHHNOCGJPIABQJR-UHFFFAOYSA-N
XLogP1.31
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.31
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

4-[[benzyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one
CID 136513690
6-ethyl-4-[[ethyl(2-hydroxyethyl)amino]methyl]chromen-2-one
CID 7198680
4-[[2-hydroxyethyl(propyl)amino]methyl]-7-methylchromen-2-one
CID 60691685
7-bromo-4-[[2-hydroxyethyl(propyl)amino]methyl]chromen-2-one
CID 60692198
4-[[bis(2-hydroxyethyl)amino]methyl]-7-bromochromen-2-one
CID 60686312
7-hydroxy-4-[[1-hydroxypropan-2-yl(methyl)amino]methyl]chromen-2-one
CID 112580823
4-(bromomethyl)-7-hydroxychromen-2-one
CID 5465897
3-[(7-hydroxy-2-oxochromen-4-yl)methyl-methylamino]propanoic acid
CID 60987026
4-[[3-aminopropyl(methyl)amino]methyl]-7-hydroxychromen-2-one
CID 115319311
4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one
CID 8841578
7-hydroxy-4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]chromen-2-one
CID 79390669
7-hydroxy-4-[[(2-hydroxyphenyl)methyl-methylamino]methyl]chromen-2-one
CID 154798950

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one?
The IUPAC name of 4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one (CID 60685720) is 4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one.
What is the SMILES notation for 4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one?
The canonical SMILES for 4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one is CCN(CCO)Cc1cc(=O)oc2cc(O)ccc12.
What is the InChIKey of 4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one?
The InChIKey is HHNOCGJPIABQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-15(5-6-16)9-10-7-14(18)19-13-8-11(17)3-4-12(10)13/h3-4,7-8,16-17H,2,5-6,9H2,1H3.
What are the key properties of 4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one?
4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one has a molecular weight of 263.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one is sourced from PubChem (CID 60685720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).