[3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol

C16H18N2O5 — CID 133438604

IUPAC[3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol
SMILESCc1ccc(C2CN(c3cc(CO)ccc3[N+](=O)[O-])CCO2)o1
InChIInChI=1S/C16H18N2O5/c1-11-2-5-15(23-11)16-9-17(6-7-22-16)14-8-12(10-19)3-4-13(14)18(20)21/h2-5,8,16,19H,6-7,9-10H2,1H3
InChIKeyNCDYEYGTYJLJLA-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.57
Rot. Bonds4

About [3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol

[3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol (PubChem CID 133438604) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is [3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol.

Molecular Properties

Compound Name[3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol
PubChem CID133438604
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name[3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol
SMILESCc1ccc(C2CN(c3cc(CO)ccc3[N+](=O)[O-])CCO2)o1
InChIInChI=1S/C16H18N2O5/c1-11-2-5-15(23-11)16-9-17(6-7-22-16)14-8-12(10-19)3-4-13(14)18(20)21/h2-5,8,16,19H,6-7,9-10H2,1H3
InChIKeyNCDYEYGTYJLJLA-UHFFFAOYSA-N
XLogP2.57
TPSA88.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.57
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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Frequently Asked Questions

What is the IUPAC name of [3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol?
The IUPAC name of [3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol (CID 133438604) is [3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol.
What is the SMILES notation for [3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol?
The canonical SMILES for [3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol is Cc1ccc(C2CN(c3cc(CO)ccc3[N+](=O)[O-])CCO2)o1.
What is the InChIKey of [3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol?
The InChIKey is NCDYEYGTYJLJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-11-2-5-15(23-11)16-9-17(6-7-22-16)14-8-12(10-19)3-4-13(14)18(20)21/h2-5,8,16,19H,6-7,9-10H2,1H3.
What are the key properties of [3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol?
[3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol has a molecular weight of 318.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol is sourced from PubChem (CID 133438604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).