(2-morpholin-4-yl-5-nitrophenyl)methanol

C11H14N2O4 — CID 2727950

IUPAC(2-morpholin-4-yl-5-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)c(CO)c1
InChIInChI=1S/C11H14N2O4/c14-8-9-7-10(13(15)16)1-2-11(9)12-3-5-17-6-4-12/h1-2,7,14H,3-6,8H2
InChIKeyMDWRAXFULYTOCK-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.92
Rot. Bonds3

About (2-morpholin-4-yl-5-nitrophenyl)methanol

(2-morpholin-4-yl-5-nitrophenyl)methanol (PubChem CID 2727950) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2-morpholin-4-yl-5-nitrophenyl)methanol.

Molecular Properties

Compound Name(2-morpholin-4-yl-5-nitrophenyl)methanol
PubChem CID2727950
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2-morpholin-4-yl-5-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)c(CO)c1
InChIInChI=1S/C11H14N2O4/c14-8-9-7-10(13(15)16)1-2-11(9)12-3-5-17-6-4-12/h1-2,7,14H,3-6,8H2
InChIKeyMDWRAXFULYTOCK-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
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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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-5-nitrophenyl)methanol?
The IUPAC name of (2-morpholin-4-yl-5-nitrophenyl)methanol (CID 2727950) is (2-morpholin-4-yl-5-nitrophenyl)methanol.
What is the SMILES notation for (2-morpholin-4-yl-5-nitrophenyl)methanol?
The canonical SMILES for (2-morpholin-4-yl-5-nitrophenyl)methanol is O=[N+]([O-])c1ccc(N2CCOCC2)c(CO)c1.
What is the InChIKey of (2-morpholin-4-yl-5-nitrophenyl)methanol?
The InChIKey is MDWRAXFULYTOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-8-9-7-10(13(15)16)1-2-11(9)12-3-5-17-6-4-12/h1-2,7,14H,3-6,8H2.
What are the key properties of (2-morpholin-4-yl-5-nitrophenyl)methanol?
(2-morpholin-4-yl-5-nitrophenyl)methanol has a molecular weight of 238.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-5-nitrophenyl)methanol is sourced from PubChem (CID 2727950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).