2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one

C18H17NO5 — CID 1426444

IUPAC2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one
SMILESO=c1cc(-c2ccco2)oc2ccc(O)c(CN3CCOCC3)c12
InChIInChI=1S/C18H17NO5/c20-13-3-4-16-18(12(13)11-19-5-8-22-9-6-19)14(21)10-17(24-16)15-2-1-7-23-15/h1-4,7,10,20H,5-6,8-9,11H2
InChIKeyYJHHTYMOUMTCIF-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.59
Rot. Bonds3

About 2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one

2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one (PubChem CID 1426444) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one
PubChem CID1426444
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one
SMILESO=c1cc(-c2ccco2)oc2ccc(O)c(CN3CCOCC3)c12
InChIInChI=1S/C18H17NO5/c20-13-3-4-16-18(12(13)11-19-5-8-22-9-6-19)14(21)10-17(24-16)15-2-1-7-23-15/h1-4,7,10,20H,5-6,8-9,11H2
InChIKeyYJHHTYMOUMTCIF-UHFFFAOYSA-N
XLogP2.59
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(azetidin-1-ylmethyl)-6-hydroxy-2-(2-hydroxyphenyl)chromen-4-one
CID 171358147
3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one
CID 5392010
3,4-dichloro-2-(morpholin-4-ylmethyl)phenol
CID 12823160
1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride
CID 53314502
5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(morpholin-4-ylmethyl)chromen-4-one
CID 71450402
[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone
CID 127254802
7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride
CID 21159653
[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone
CID 1208316
N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 7540219
3-amino-2-(morpholin-4-ylmethyl)phenol;azane
CID 69382401
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-(morpholin-4-ylmethyl)chromen-4-one
CID 44578210
ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate chloride
CID 46863701

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one?
The IUPAC name of 2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one (CID 1426444) is 2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one.
What is the SMILES notation for 2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one?
The canonical SMILES for 2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one is O=c1cc(-c2ccco2)oc2ccc(O)c(CN3CCOCC3)c12.
What is the InChIKey of 2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one?
The InChIKey is YJHHTYMOUMTCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c20-13-3-4-16-18(12(13)11-19-5-8-22-9-6-19)14(21)10-17(24-16)15-2-1-7-23-15/h1-4,7,10,20H,5-6,8-9,11H2.
What are the key properties of 2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one?
2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one has a molecular weight of 327.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one is sourced from PubChem (CID 1426444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).