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

C11H14N2O4 — CID 79839619

IUPAC[4-(2-nitrophenyl)morpholin-2-yl]methanol
SMILESO=[N+]([O-])c1ccccc1N1CCOC(CO)C1
InChIInChI=1S/C11H14N2O4/c14-8-9-7-12(5-6-17-9)10-3-1-2-4-11(10)13(15)16/h1-4,9,14H,5-8H2
InChIKeyXBCJBLQXJIOINB-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.79
Rot. Bonds3

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

[4-(2-nitrophenyl)morpholin-2-yl]methanol (PubChem CID 79839619) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [4-(2-nitrophenyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-nitrophenyl)morpholin-2-yl]methanol
PubChem CID79839619
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[4-(2-nitrophenyl)morpholin-2-yl]methanol
SMILESO=[N+]([O-])c1ccccc1N1CCOC(CO)C1
InChIInChI=1S/C11H14N2O4/c14-8-9-7-12(5-6-17-9)10-3-1-2-4-11(10)13(15)16/h1-4,9,14H,5-8H2
InChIKeyXBCJBLQXJIOINB-UHFFFAOYSA-N
XLogP0.79
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
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

4-[2-(hydroxymethyl)morpholin-4-yl]-3-nitrobenzoic acid
CID 81204138
1-[4-[2-(hydroxymethyl)morpholin-4-yl]-3-nitrophenyl]ethanone
CID 79839438
3-[2-(hydroxymethyl)morpholin-4-yl]-2-nitrobenzonitrile
CID 104720129
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-nitrophenyl)ethanone
CID 81209298
[4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol
CID 81219753
[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol
CID 33291102
2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine
CID 47983309
methyl 2-[4-(2-methyl-3-nitrophenyl)morpholin-2-yl]acetate
CID 115538665
4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine
CID 133363741
[4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine
CID 114399426
[4-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)morpholin-2-yl]methanol
CID 81209113
[4-[2-(1-aminoethyl)phenyl]morpholin-2-yl]methanol
CID 81204899

Frequently Asked Questions

What is the IUPAC name of [4-(2-nitrophenyl)morpholin-2-yl]methanol?
The IUPAC name of [4-(2-nitrophenyl)morpholin-2-yl]methanol (CID 79839619) is [4-(2-nitrophenyl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(2-nitrophenyl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(2-nitrophenyl)morpholin-2-yl]methanol is O=[N+]([O-])c1ccccc1N1CCOC(CO)C1.
What is the InChIKey of [4-(2-nitrophenyl)morpholin-2-yl]methanol?
The InChIKey is XBCJBLQXJIOINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-8-9-7-12(5-6-17-9)10-3-1-2-4-11(10)13(15)16/h1-4,9,14H,5-8H2.
What are the key properties of [4-(2-nitrophenyl)morpholin-2-yl]methanol?
[4-(2-nitrophenyl)morpholin-2-yl]methanol has a molecular weight of 238.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-nitrophenyl)morpholin-2-yl]methanol is sourced from PubChem (CID 79839619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).