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

C22H23NO4 — CID 5448691

IUPAC8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one
SMILESC[C@@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)coc23)C[C@H](C)O1
InChIInChI=1S/C22H23NO4/c1-14-10-23(11-15(2)27-14)12-18-20(24)9-8-17-21(25)19(13-26-22(17)18)16-6-4-3-5-7-16/h3-9,13-15,24H,10-12H2,1-2H3/t14-,15+
InChIKeyCGKRXLVATORLPE-GASCZTMLSA-N
MW365.43 g/mol
LogP3.77
Rot. Bonds3

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

8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one (PubChem CID 5448691) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one.

Molecular Properties

Compound Name8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one
PubChem CID5448691
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one
SMILESC[C@@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)coc23)C[C@H](C)O1
InChIInChI=1S/C22H23NO4/c1-14-10-23(11-15(2)27-14)12-18-20(24)9-8-17-21(25)19(13-26-22(17)18)16-6-4-3-5-7-16/h3-9,13-15,24H,10-12H2,1-2H3/t14-,15+
InChIKeyCGKRXLVATORLPE-GASCZTMLSA-N
XLogP3.77
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-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-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one
CID 5439005
7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride
CID 126476287
8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxychromen-4-one
CID 5451602
3-(4-chlorophenyl)-7-hydroxy-8-[[(3R)-3-methylpiperidin-1-yl]methyl]chromen-4-one
CID 5451612
7-hydroxy-3-(4-methoxyphenyl)-8-[[(3R)-3-methylpiperidin-1-yl]methyl]chromen-4-one
CID 6346016
3-(4-chlorophenyl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)chromen-4-one
CID 6043793
8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride
CID 24746917
7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one
CID 6052176
(1R,9R)-11-[[7-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 98126185
3-(2-chlorophenyl)-8-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one
CID 5449404
8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one
CID 5391091
7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one
CID 5389856

Frequently Asked Questions

What is the IUPAC name of 8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one?
The IUPAC name of 8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one (CID 5448691) is 8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one.
What is the SMILES notation for 8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one?
The canonical SMILES for 8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one is C[C@@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)coc23)C[C@H](C)O1.
What is the InChIKey of 8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one?
The InChIKey is CGKRXLVATORLPE-GASCZTMLSA-N. The full InChI is InChI=1S/C22H23NO4/c1-14-10-23(11-15(2)27-14)12-18-20(24)9-8-17-21(25)19(13-26-22(17)18)16-6-4-3-5-7-16/h3-9,13-15,24H,10-12H2,1-2H3/t14-,15+.
What are the key properties of 8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one?
8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one has a molecular weight of 365.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one is sourced from PubChem (CID 5448691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).