5-hydroxy-3-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one

C19H17NO5 — CID 86291005

IUPAC5-hydroxy-3-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(N3CCOCC3)cc(O)c12
InChIInChI=1S/C19H17NO5/c21-14-3-1-12(2-4-14)15-11-25-17-10-13(20-5-7-24-8-6-20)9-16(22)18(17)19(15)23/h1-4,9-11,21-22H,5-8H2
InChIKeyDQIWDDWTTROUFW-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.71
Rot. Bonds2

About 5-hydroxy-3-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one

5-hydroxy-3-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one (PubChem CID 86291005) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-hydroxy-3-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name5-hydroxy-3-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one
PubChem CID86291005
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name5-hydroxy-3-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(N3CCOCC3)cc(O)c12
InChIInChI=1S/C19H17NO5/c21-14-3-1-12(2-4-14)15-11-25-17-10-13(20-5-7-24-8-6-20)9-16(22)18(17)19(15)23/h1-4,9-11,21-22H,5-8H2
InChIKeyDQIWDDWTTROUFW-UHFFFAOYSA-N
XLogP2.71
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one?
The IUPAC name of 5-hydroxy-3-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one (CID 86291005) is 5-hydroxy-3-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 5-hydroxy-3-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one?
The canonical SMILES for 5-hydroxy-3-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one is O=c1c(-c2ccc(O)cc2)coc2cc(N3CCOCC3)cc(O)c12.
What is the InChIKey of 5-hydroxy-3-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one?
The InChIKey is DQIWDDWTTROUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c21-14-3-1-12(2-4-14)15-11-25-17-10-13(20-5-7-24-8-6-20)9-16(22)18(17)19(15)23/h1-4,9-11,21-22H,5-8H2.
What are the key properties of 5-hydroxy-3-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one?
5-hydroxy-3-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one has a molecular weight of 339.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 86291005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).