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

C12H16N2O4 — CID 102935166

IUPAC[6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol
SMILESCC1CN(c2ccc([N+](=O)[O-])cc2)CC(CO)O1
InChIInChI=1S/C12H16N2O4/c1-9-6-13(7-12(8-15)18-9)10-2-4-11(5-3-10)14(16)17/h2-5,9,12,15H,6-8H2,1H3
InChIKeyOYSYUWQEOTVFIE-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.18
Rot. Bonds3

About [6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol

[6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol (PubChem CID 102935166) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is [6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol
PubChem CID102935166
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name[6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol
SMILESCC1CN(c2ccc([N+](=O)[O-])cc2)CC(CO)O1
InChIInChI=1S/C12H16N2O4/c1-9-6-13(7-12(8-15)18-9)10-2-4-11(5-3-10)14(16)17/h2-5,9,12,15H,6-8H2,1H3
InChIKeyOYSYUWQEOTVFIE-UHFFFAOYSA-N
XLogP1.18
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,6R)-2,6-dimethyl-4-(4-nitrophenyl)morpholine
CID 7062388
[6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol
CID 102935281
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-nitrobenzonitrile
CID 102932795
[4-(2-iodo-4-nitrophenyl)-6-methylmorpholin-2-yl]methanol
CID 102935104
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-nitrobenzoic acid
CID 102933153
1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone
CID 102933196
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 102935310
[4-[4-(hydroxymethyl)-2-nitrophenyl]-6-methylmorpholin-2-yl]methanol
CID 102933448
[6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol
CID 102935110
(5R)-5-(hydroxymethyl)-3-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 58777713
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 102933160
[4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102933958

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol?
The IUPAC name of [6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol (CID 102935166) is [6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol.
What is the SMILES notation for [6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol?
The canonical SMILES for [6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol is CC1CN(c2ccc([N+](=O)[O-])cc2)CC(CO)O1.
What is the InChIKey of [6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol?
The InChIKey is OYSYUWQEOTVFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-9-6-13(7-12(8-15)18-9)10-2-4-11(5-3-10)14(16)17/h2-5,9,12,15H,6-8H2,1H3.
What are the key properties of [6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol?
[6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol has a molecular weight of 252.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol is sourced from PubChem (CID 102935166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).