3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol

C11H14N2O4 — CID 171259722

IUPAC3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol
SMILESCc1ccc([C@@H]2COCCN2)c(O)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O4/c1-7-2-3-8(9-6-17-5-4-12-9)11(14)10(7)13(15)16/h2-3,9,12,14H,4-6H2,1H3/t9-/m0/s1
InChIKeyKCIAFZUARDOSQZ-VIFPVBQESA-N
MW238.24 g/mol
LogP1.27
Rot. Bonds2

About 3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol

3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol (PubChem CID 171259722) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol.

Molecular Properties

Compound Name3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol
PubChem CID171259722
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol
SMILESCc1ccc([C@@H]2COCCN2)c(O)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O4/c1-7-2-3-8(9-6-17-5-4-12-9)11(14)10(7)13(15)16/h2-3,9,12,14H,4-6H2,1H3/t9-/m0/s1
InChIKeyKCIAFZUARDOSQZ-VIFPVBQESA-N
XLogP1.27
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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

3-morpholin-3-yl-2-nitrobenzoic acid
CID 174727620
3-(2-nitrophenyl)morpholine
CID 69296490
(3S)-3-(2-nitrophenyl)morpholine
CID 97291213
3-(2-fluoro-3-nitrophenyl)morpholine
CID 130041591
3-(3-methyl-4-nitrophenyl)morpholine
CID 130041687
6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
CID 131487567
3-(2,6-dimethylphenyl)morpholine
CID 55298000
2-hydroxy-3-[(3S)-morpholin-3-yl]benzonitrile
CID 131498186
4-methyl-6-morpholin-3-ylbenzene-1,3-diol
CID 84780563
(3R)-3-(5-nitrothiophen-2-yl)morpholine
CID 130751942
4-fluoro-2-methyl-6-[(3R)-morpholin-3-yl]phenol
CID 131254251
(3S)-3-(5-nitrothiophen-2-yl)morpholine
CID 130747257

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol?
The IUPAC name of 3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol (CID 171259722) is 3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol.
What is the SMILES notation for 3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol?
The canonical SMILES for 3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol is Cc1ccc([C@@H]2COCCN2)c(O)c1[N+](=O)[O-].
What is the InChIKey of 3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol?
The InChIKey is KCIAFZUARDOSQZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-2-3-8(9-6-17-5-4-12-9)11(14)10(7)13(15)16/h2-3,9,12,14H,4-6H2,1H3/t9-/m0/s1.
What are the key properties of 3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol?
3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol has a molecular weight of 238.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol is sourced from PubChem (CID 171259722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).