morpholin-4-yl-[3-(4-nitrophenoxy)phenyl]methanone

C17H16N2O5 — CID 2985625

IUPACmorpholin-4-yl-[3-(4-nitrophenoxy)phenyl]methanone
SMILESO=C(c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCOCC1
InChIInChI=1S/C17H16N2O5/c20-17(18-8-10-23-11-9-18)13-2-1-3-16(12-13)24-15-6-4-14(5-7-15)19(21)22/h1-7,12H,8-11H2
InChIKeyDVCWRDKFJQZHAI-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.86
Rot. Bonds4

About morpholin-4-yl-[3-(4-nitrophenoxy)phenyl]methanone

morpholin-4-yl-[3-(4-nitrophenoxy)phenyl]methanone (PubChem CID 2985625) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is morpholin-4-yl-[3-(4-nitrophenoxy)phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-(4-nitrophenoxy)phenyl]methanone
PubChem CID2985625
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Namemorpholin-4-yl-[3-(4-nitrophenoxy)phenyl]methanone
SMILESO=C(c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCOCC1
InChIInChI=1S/C17H16N2O5/c20-17(18-8-10-23-11-9-18)13-2-1-3-16(12-13)24-15-6-4-14(5-7-15)19(21)22/h1-7,12H,8-11H2
InChIKeyDVCWRDKFJQZHAI-UHFFFAOYSA-N
XLogP2.86
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
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 morpholin-4-yl-[3-(4-nitrophenoxy)phenyl]methanone?
The IUPAC name of morpholin-4-yl-[3-(4-nitrophenoxy)phenyl]methanone (CID 2985625) is morpholin-4-yl-[3-(4-nitrophenoxy)phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-(4-nitrophenoxy)phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[3-(4-nitrophenoxy)phenyl]methanone is O=C(c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[3-(4-nitrophenoxy)phenyl]methanone?
The InChIKey is DVCWRDKFJQZHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c20-17(18-8-10-23-11-9-18)13-2-1-3-16(12-13)24-15-6-4-14(5-7-15)19(21)22/h1-7,12H,8-11H2.
What are the key properties of morpholin-4-yl-[3-(4-nitrophenoxy)phenyl]methanone?
morpholin-4-yl-[3-(4-nitrophenoxy)phenyl]methanone has a molecular weight of 328.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-(4-nitrophenoxy)phenyl]methanone is sourced from PubChem (CID 2985625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).