2-[(4-nitrophenyl)methoxy]guanidine

C8H10N4O3 — CID 23036888

IUPAC2-[(4-nitrophenyl)methoxy]guanidine
SMILESNC(N)=NOCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H10N4O3/c9-8(10)11-15-5-6-1-3-7(4-2-6)12(13)14/h1-4H,5H2,(H4,9,10,11)
InChIKeyHNYFODNWPVWIPK-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.30
Rot. Bonds4

About 2-[(4-nitrophenyl)methoxy]guanidine

2-[(4-nitrophenyl)methoxy]guanidine (PubChem CID 23036888) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)methoxy]guanidine.

Molecular Properties

Compound Name2-[(4-nitrophenyl)methoxy]guanidine
PubChem CID23036888
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name2-[(4-nitrophenyl)methoxy]guanidine
SMILESNC(N)=NOCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H10N4O3/c9-8(10)11-15-5-6-1-3-7(4-2-6)12(13)14/h1-4H,5H2,(H4,9,10,11)
InChIKeyHNYFODNWPVWIPK-UHFFFAOYSA-N
XLogP0.30
TPSA116.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

N'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide
CID 52530036
bis[(4-nitrophenyl)methyl] (2R,3R)-2,3-dihydroxybutanedioate
CID 10432242
(4-nitrophenyl)methyl 3-(diaminomethylideneamino)-2-sulfanylpropanoate
CID 88528730
(4-nitrophenyl)methoxyboronic acid
CID 11116985
(2R,3R,4E,5S)-5-methoxy-6-methyl-4-[(4-nitrophenyl)methoxyimino]heptane-2,3-diol
CID 146550810
1-nitro-4-(phosphorosooxymethyl)benzene
CID 58371231
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine
CID 59021225
4-[(4-nitrophenyl)methoxy]benzamide
CID 7893395
bis[(4-nitrophenyl)methyl] benzene-1,2-dicarboxylate
CID 88636598
5-[C-ethyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]-2-methylphenol
CID 159478248
dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane
CID 57011547
carbonotrithioic acid;(4-nitrophenyl)methyl hydrogen carbonate
CID 174801367

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)methoxy]guanidine?
The IUPAC name of 2-[(4-nitrophenyl)methoxy]guanidine (CID 23036888) is 2-[(4-nitrophenyl)methoxy]guanidine.
What is the SMILES notation for 2-[(4-nitrophenyl)methoxy]guanidine?
The canonical SMILES for 2-[(4-nitrophenyl)methoxy]guanidine is NC(N)=NOCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(4-nitrophenyl)methoxy]guanidine?
The InChIKey is HNYFODNWPVWIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-8(10)11-15-5-6-1-3-7(4-2-6)12(13)14/h1-4H,5H2,(H4,9,10,11).
What are the key properties of 2-[(4-nitrophenyl)methoxy]guanidine?
2-[(4-nitrophenyl)methoxy]guanidine has a molecular weight of 210.19 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)methoxy]guanidine is sourced from PubChem (CID 23036888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).