[6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol

C13H18N2O4 — CID 102935110

IUPAC[6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol
SMILESCc1ccc([N+](=O)[O-])c(N2CC(C)OC(CO)C2)c1
InChIInChI=1S/C13H18N2O4/c1-9-3-4-12(15(17)18)13(5-9)14-6-10(2)19-11(7-14)8-16/h3-5,10-11,16H,6-8H2,1-2H3
InChIKeyARLHSSAWDINDBU-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.49
Rot. Bonds3

About [6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol

[6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol (PubChem CID 102935110) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol
PubChem CID102935110
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol
SMILESCc1ccc([N+](=O)[O-])c(N2CC(C)OC(CO)C2)c1
InChIInChI=1S/C13H18N2O4/c1-9-3-4-12(15(17)18)13(5-9)14-6-10(2)19-11(7-14)8-16/h3-5,10-11,16H,6-8H2,1-2H3
InChIKeyARLHSSAWDINDBU-UHFFFAOYSA-N
XLogP1.49
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.49
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 [6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol?
The IUPAC name of [6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol (CID 102935110) is [6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol.
What is the SMILES notation for [6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol?
The canonical SMILES for [6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol is Cc1ccc([N+](=O)[O-])c(N2CC(C)OC(CO)C2)c1.
What is the InChIKey of [6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol?
The InChIKey is ARLHSSAWDINDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-3-4-12(15(17)18)13(5-9)14-6-10(2)19-11(7-14)8-16/h3-5,10-11,16H,6-8H2,1-2H3.
What are the key properties of [6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol?
[6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol has a molecular weight of 266.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol is sourced from PubChem (CID 102935110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).