2-morpholin-4-yl-1-(4-nitrophenyl)ethanol

C12H16N2O4 — CID 4061457

IUPAC2-morpholin-4-yl-1-(4-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(C(O)CN2CCOCC2)cc1
InChIInChI=1S/C12H16N2O4/c15-12(9-13-5-7-18-8-6-13)10-1-3-11(4-2-10)14(16)17/h1-4,12,15H,5-9H2
InChIKeyDIRKSYGVKZZVQF-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.96
Rot. Bonds4

About 2-morpholin-4-yl-1-(4-nitrophenyl)ethanol

2-morpholin-4-yl-1-(4-nitrophenyl)ethanol (PubChem CID 4061457) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-(4-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-morpholin-4-yl-1-(4-nitrophenyl)ethanol
PubChem CID4061457
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-morpholin-4-yl-1-(4-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(C(O)CN2CCOCC2)cc1
InChIInChI=1S/C12H16N2O4/c15-12(9-13-5-7-18-8-6-13)10-1-3-11(4-2-10)14(16)17/h1-4,12,15H,5-9H2
InChIKeyDIRKSYGVKZZVQF-UHFFFAOYSA-N
XLogP0.96
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-(4-nitrophenyl)ethanol?
The IUPAC name of 2-morpholin-4-yl-1-(4-nitrophenyl)ethanol (CID 4061457) is 2-morpholin-4-yl-1-(4-nitrophenyl)ethanol.
What is the SMILES notation for 2-morpholin-4-yl-1-(4-nitrophenyl)ethanol?
The canonical SMILES for 2-morpholin-4-yl-1-(4-nitrophenyl)ethanol is O=[N+]([O-])c1ccc(C(O)CN2CCOCC2)cc1.
What is the InChIKey of 2-morpholin-4-yl-1-(4-nitrophenyl)ethanol?
The InChIKey is DIRKSYGVKZZVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-12(9-13-5-7-18-8-6-13)10-1-3-11(4-2-10)14(16)17/h1-4,12,15H,5-9H2.
What are the key properties of 2-morpholin-4-yl-1-(4-nitrophenyl)ethanol?
2-morpholin-4-yl-1-(4-nitrophenyl)ethanol has a molecular weight of 252.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-(4-nitrophenyl)ethanol is sourced from PubChem (CID 4061457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).