8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one

C23H25NO5 — CID 5439005

IUPAC8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one
SMILESCOc1ccccc1-c1coc2c(CN3C[C@@H](C)O[C@H](C)C3)c(O)ccc2c1=O
InChIInChI=1S/C23H25NO5/c1-14-10-24(11-15(2)29-14)12-18-20(25)9-8-17-22(26)19(13-28-23(17)18)16-6-4-5-7-21(16)27-3/h4-9,13-15,25H,10-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyZPGSJCYMESNSHN-HUUCEWRRSA-N
MW395.46 g/mol
LogP3.78
Rot. Bonds4

About 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one

8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one (PubChem CID 5439005) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one
PubChem CID5439005
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one
SMILESCOc1ccccc1-c1coc2c(CN3C[C@@H](C)O[C@H](C)C3)c(O)ccc2c1=O
InChIInChI=1S/C23H25NO5/c1-14-10-24(11-15(2)29-14)12-18-20(25)9-8-17-22(26)19(13-28-23(17)18)16-6-4-5-7-21(16)27-3/h4-9,13-15,25H,10-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyZPGSJCYMESNSHN-HUUCEWRRSA-N
XLogP3.78
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-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

8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one
CID 5448691
7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one
CID 5389856
8-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one
CID 5449000
7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one
CID 122685038
cyclohexyl-[[7-hydroxy-3-(2-methoxyphenyl)-4-oxochromen-8-yl]methyl]-methylazanium
CID 6244446
7-hydroxy-3-(2-methoxyphenyl)-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one
CID 6964648
8-[(3,5-dimethylpiperidin-1-yl)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one
CID 110275701
3-(2-chlorophenyl)-8-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one
CID 5449404
(1R,9S)-11-[[7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-8-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 167993410
8-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
CID 5451792
7-hydroxy-3-(2-methoxyphenyl)-2-methyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]chromen-4-one
CID 6346012
7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one
CID 5322217

Frequently Asked Questions

What is the IUPAC name of 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one?
The IUPAC name of 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one (CID 5439005) is 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one?
The canonical SMILES for 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one is COc1ccccc1-c1coc2c(CN3C[C@@H](C)O[C@H](C)C3)c(O)ccc2c1=O.
What is the InChIKey of 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one?
The InChIKey is ZPGSJCYMESNSHN-HUUCEWRRSA-N. The full InChI is InChI=1S/C23H25NO5/c1-14-10-24(11-15(2)29-14)12-18-20(25)9-8-17-22(26)19(13-28-23(17)18)16-6-4-5-7-21(16)27-3/h4-9,13-15,25H,10-12H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one?
8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one has a molecular weight of 395.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 5439005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).