[4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol

C12H16N2O4 — CID 79833713

IUPAC[4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(CN2CCOC(CO)C2)cc1
InChIInChI=1S/C12H16N2O4/c15-9-12-8-13(5-6-18-12)7-10-1-3-11(4-2-10)14(16)17/h1-4,12,15H,5-9H2
InChIKeyJLNNDFYZLKQYBW-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.79
Rot. Bonds4

About [4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol

[4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol (PubChem CID 79833713) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is [4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol
PubChem CID79833713
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name[4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(CN2CCOC(CO)C2)cc1
InChIInChI=1S/C12H16N2O4/c15-9-12-8-13(5-6-18-12)7-10-1-3-11(4-2-10)14(16)17/h1-4,12,15H,5-9H2
InChIKeyJLNNDFYZLKQYBW-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
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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Related Compounds

2-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]acetic acid
CID 66435040
[4-[(2,4-dinitrophenyl)methyl]morpholin-2-yl]methanol
CID 81207931
[4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 81203095
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoic acid
CID 81205300
[4-[[3-(methylamino)-4-nitrophenyl]methyl]morpholin-2-yl]methanol
CID 81213023
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine
CID 11176211
[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
1-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491183
(4-nitrophenyl) N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]carbamate
CID 11775024
1,4,7,10-tetrakis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293980
[4-[(4-amino-3-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 81205798

Frequently Asked Questions

What is the IUPAC name of [4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol (CID 79833713) is [4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol is O=[N+]([O-])c1ccc(CN2CCOC(CO)C2)cc1.
What is the InChIKey of [4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol?
The InChIKey is JLNNDFYZLKQYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-9-12-8-13(5-6-18-12)7-10-1-3-11(4-2-10)14(16)17/h1-4,12,15H,5-9H2.
What are the key properties of [4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol?
[4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol has a molecular weight of 252.27 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 79833713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).