5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one

C19H17NO5 — CID 90643979

IUPAC5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one
SMILESO=c1cc(-c2ccc(O)cc2)oc2cc(N3CCOCC3)cc(O)c12
InChIInChI=1S/C19H17NO5/c21-14-3-1-12(2-4-14)17-11-16(23)19-15(22)9-13(10-18(19)25-17)20-5-7-24-8-6-20/h1-4,9-11,21-22H,5-8H2
InChIKeyLZGFSHUZJKAICY-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.71
Rot. Bonds2

About 5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one

5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one (PubChem CID 90643979) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one
PubChem CID90643979
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one
SMILESO=c1cc(-c2ccc(O)cc2)oc2cc(N3CCOCC3)cc(O)c12
InChIInChI=1S/C19H17NO5/c21-14-3-1-12(2-4-14)17-11-16(23)19-15(22)9-13(10-18(19)25-17)20-5-7-24-8-6-20/h1-4,9-11,21-22H,5-8H2
InChIKeyLZGFSHUZJKAICY-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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Related Compounds

5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(4-methylphenyl)piperazin-1-yl]methyl]chromen-4-one
CID 164609306
5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
CID 155754085
[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenyl]boronic acid
CID 71504390
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one
CID 25267158
5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(morpholin-4-ylmethyl)chromen-4-one
CID 71450402
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(4-pyrimidin-5-ylpiperazin-1-yl)methyl]chromen-4-one
CID 164620755
5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one
CID 71457402
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride
CID 142688406

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one?
The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one (CID 90643979) is 5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one?
The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one is O=c1cc(-c2ccc(O)cc2)oc2cc(N3CCOCC3)cc(O)c12.
What is the InChIKey of 5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one?
The InChIKey is LZGFSHUZJKAICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c21-14-3-1-12(2-4-14)17-11-16(23)19-15(22)9-13(10-18(19)25-17)20-5-7-24-8-6-20/h1-4,9-11,21-22H,5-8H2.
What are the key properties of 5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one?
5-hydroxy-2-(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-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 90643979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).