5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one

C20H21NO6 — CID 134863979

IUPAC5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(O)cc2)Oc2cc(O)c(CN3CCOCC3)c(O)c21
InChIInChI=1S/C20H21NO6/c22-13-3-1-12(2-4-13)17-10-16(24)19-18(27-17)9-15(23)14(20(19)25)11-21-5-7-26-8-6-21/h1-4,9,17,22-23,25H,5-8,10-11H2
InChIKeyYRJMEAWGZDCURQ-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.34
Rot. Bonds3

About 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one (PubChem CID 134863979) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one
PubChem CID134863979
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(O)cc2)Oc2cc(O)c(CN3CCOCC3)c(O)c21
InChIInChI=1S/C20H21NO6/c22-13-3-1-12(2-4-13)17-10-16(24)19-18(27-17)9-15(23)14(20(19)25)11-21-5-7-26-8-6-21/h1-4,9,17,22-23,25H,5-8,10-11H2
InChIKeyYRJMEAWGZDCURQ-UHFFFAOYSA-N
XLogP2.34
TPSA99.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-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

(2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 101143545
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[[4-[3-(2-methylsulfanylphenothiazin-10-yl)propyl]piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one
CID 155569442
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 54494857
6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 75069473
5,7-dihydroxy-6-[(2S,3R)-7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 10984228
7-ethyl-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 143737118
(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 77105169
(2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 38360850
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 162858034
(4S,8R)-5-hydroxy-4,8-bis(4-hydroxyphenyl)-3,4,7,8-tetrahydropyrano[3,2-g]chromene-2,6-dione
CID 163019893

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one (CID 134863979) is 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one is O=C1CC(c2ccc(O)cc2)Oc2cc(O)c(CN3CCOCC3)c(O)c21.
What is the InChIKey of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one?
The InChIKey is YRJMEAWGZDCURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c22-13-3-1-12(2-4-13)17-10-16(24)19-18(27-17)9-15(23)14(20(19)25)11-21-5-7-26-8-6-21/h1-4,9,17,22-23,25H,5-8,10-11H2.
What are the key properties of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one?
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one has a molecular weight of 371.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 134863979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).