(2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

C15H21NO4 — CID 107723950

IUPAC(2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(O)ccc2O)CC(C)(C)O1
InChIInChI=1S/C15H21NO4/c1-14(2)8-16(9-15(3,4)20-14)13(19)11-7-10(17)5-6-12(11)18/h5-7,17-18H,8-9H2,1-4H3
InChIKeyDYERVFHIBOWBIT-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.13
Rot. Bonds1

About (2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

(2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (PubChem CID 107723950) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
PubChem CID107723950
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(O)ccc2O)CC(C)(C)O1
InChIInChI=1S/C15H21NO4/c1-14(2)8-16(9-15(3,4)20-14)13(19)11-7-10(17)5-6-12(11)18/h5-7,17-18H,8-9H2,1-4H3
InChIKeyDYERVFHIBOWBIT-UHFFFAOYSA-N
XLogP2.13
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The IUPAC name of (2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (CID 107723950) is (2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The canonical SMILES for (2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2cc(O)ccc2O)CC(C)(C)O1.
What is the InChIKey of (2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The InChIKey is DYERVFHIBOWBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-14(2)8-16(9-15(3,4)20-14)13(19)11-7-10(17)5-6-12(11)18/h5-7,17-18H,8-9H2,1-4H3.
What are the key properties of (2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
(2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is sourced from PubChem (CID 107723950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).