[4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol

C13H18N2O5 — CID 102935192

IUPAC[4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol
SMILESCOc1ccc([N+](=O)[O-])c(N2CC(C)OC(CO)C2)c1
InChIInChI=1S/C13H18N2O5/c1-9-6-14(7-11(8-16)20-9)13-5-10(19-2)3-4-12(13)15(17)18/h3-5,9,11,16H,6-8H2,1-2H3
InChIKeyDXRSLYPFCRBHGG-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.19
Rot. Bonds4

About [4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol

[4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol (PubChem CID 102935192) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is [4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol
PubChem CID102935192
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name[4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol
SMILESCOc1ccc([N+](=O)[O-])c(N2CC(C)OC(CO)C2)c1
InChIInChI=1S/C13H18N2O5/c1-9-6-14(7-11(8-16)20-9)13-5-10(19-2)3-4-12(13)15(17)18/h3-5,9,11,16H,6-8H2,1-2H3
InChIKeyDXRSLYPFCRBHGG-UHFFFAOYSA-N
XLogP1.19
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol
CID 102935110
[4-[4-(hydroxymethyl)-2-nitrophenyl]-6-methylmorpholin-2-yl]methanol
CID 102933448
[6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol
CID 102935281
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-nitrobenzoic acid
CID 102933153
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-nitrobenzonitrile
CID 102932795
[4-(2-iodo-4-nitrophenyl)-6-methylmorpholin-2-yl]methanol
CID 102935104
[4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102933958
(3R)-1-(5-methoxy-2-nitrophenyl)-3-methylpiperazine
CID 104976205
[6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol
CID 102935166
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-nitrophenyl]methanol
CID 28963407
methyl 1-(5-methoxy-2-nitrophenyl)pyrrolidine-3-carboxylate
CID 79033589
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(5-hydroxy-2-nitrophenyl)methanone
CID 107076739

Frequently Asked Questions

What is the IUPAC name of [4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol (CID 102935192) is [4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol is COc1ccc([N+](=O)[O-])c(N2CC(C)OC(CO)C2)c1.
What is the InChIKey of [4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol?
The InChIKey is DXRSLYPFCRBHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-9-6-14(7-11(8-16)20-9)13-5-10(19-2)3-4-12(13)15(17)18/h3-5,9,11,16H,6-8H2,1-2H3.
What are the key properties of [4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol?
[4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol has a molecular weight of 282.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102935192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).