(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C13H17NO5 — CID 107723418

IUPAC(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1cc(O)ccc1O
InChIInChI=1S/C13H17NO5/c1-8-7-19-10(6-15)5-14(8)13(18)11-4-9(16)2-3-12(11)17/h2-4,8,10,15-17H,5-7H2,1H3
InChIKeyIWVRRVMLDLITKP-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.32
Rot. Bonds2

About (2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 107723418) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID107723418
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1cc(O)ccc1O
InChIInChI=1S/C13H17NO5/c1-8-7-19-10(6-15)5-14(8)13(18)11-4-9(16)2-3-12(11)17/h2-4,8,10,15-17H,5-7H2,1H3
InChIKeyIWVRRVMLDLITKP-UHFFFAOYSA-N
XLogP0.32
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2-hydroxyphenyl)methanone
CID 81211637
(4-bromo-2-methylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208453
(2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 110027448
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203700
(2-amino-4,5-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81205548
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 81203609
(2-hydrazinylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81214213
[4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 75436702
[4-fluoro-2-(trifluoromethyl)phenyl]-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 97157511
(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 103909324
(3-chloro-2-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81266511
(2-amino-3-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81212668

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of (2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 107723418) is (2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for (2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CC1COC(CO)CN1C(=O)c1cc(O)ccc1O.
What is the InChIKey of (2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is IWVRRVMLDLITKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8-7-19-10(6-15)5-14(8)13(18)11-4-9(16)2-3-12(11)17/h2-4,8,10,15-17H,5-7H2,1H3.
What are the key properties of (2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 267.28 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 107723418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).