morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone

C11H13NO5 — CID 3047894

IUPACmorpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
SMILESO=C(c1cc(O)c(O)c(O)c1)N1CCOCC1
InChIInChI=1S/C11H13NO5/c13-8-5-7(6-9(14)10(8)15)11(16)12-1-3-17-4-2-12/h5-6,13-15H,1-4H2
InChIKeyWYRHCBQBVYYPQX-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.28
Rot. Bonds1

About morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone

morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone (PubChem CID 3047894) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
PubChem CID3047894
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Namemorpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
SMILESO=C(c1cc(O)c(O)c(O)c1)N1CCOCC1
InChIInChI=1S/C11H13NO5/c13-8-5-7(6-9(14)10(8)15)11(16)12-1-3-17-4-2-12/h5-6,13-15H,1-4H2
InChIKeyWYRHCBQBVYYPQX-UHFFFAOYSA-N
XLogP0.28
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-4-(morpholine-4-carbonyl)benzamide
CID 68557409
2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid
CID 123499675
8-hydroxy-6-(morpholine-4-carbonyl)-3H-quinazolin-4-one
CID 136608339
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 61226112
N-[3-acetamido-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 18105348
(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
CID 54927621
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
pyridin-4-yl-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545747
(3-amino-5-bromophenyl)-morpholin-4-ylmethanone
CID 75537166
[4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone
CID 59382251

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone?
The IUPAC name of morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone (CID 3047894) is morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone.
What is the SMILES notation for morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone?
The canonical SMILES for morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone is O=C(c1cc(O)c(O)c(O)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone?
The InChIKey is WYRHCBQBVYYPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c13-8-5-7(6-9(14)10(8)15)11(16)12-1-3-17-4-2-12/h5-6,13-15H,1-4H2.
What are the key properties of morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone?
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone has a molecular weight of 239.23 g/mol, XLogP of 0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone is sourced from PubChem (CID 3047894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).