2-methoxy-2-(3-nitrophenyl)ethenol

C9H9NO4 — CID 71420085

IUPAC2-methoxy-2-(3-nitrophenyl)ethenol
SMILESCOC(=CO)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H9NO4/c1-14-9(6-11)7-3-2-4-8(5-7)10(12)13/h2-6,11H,1H3
InChIKeyYOZCTNXBKGOLNZ-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.10
Rot. Bonds3

About 2-methoxy-2-(3-nitrophenyl)ethenol

2-methoxy-2-(3-nitrophenyl)ethenol (PubChem CID 71420085) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-methoxy-2-(3-nitrophenyl)ethenol.

Molecular Properties

Compound Name2-methoxy-2-(3-nitrophenyl)ethenol
PubChem CID71420085
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-methoxy-2-(3-nitrophenyl)ethenol
SMILESCOC(=CO)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H9NO4/c1-14-9(6-11)7-3-2-4-8(5-7)10(12)13/h2-6,11H,1H3
InChIKeyYOZCTNXBKGOLNZ-UHFFFAOYSA-N
XLogP2.10
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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

[2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium
CID 71420084
methyl (E)-3-methoxy-3-(3-nitrophenyl)prop-2-enoate
CID 91622412
ethane;methyl 3-nitrobenzoate
CID 166455377
methyl (1E)-N-hydroxy-3-nitrobenzenecarboximidate
CID 6516814
methyl 3-(3-nitrophenyl)but-2-enoate
CID 123494832
methyl 4-(3-nitrophenyl)-4-oxobut-2-enoate
CID 165356420
1,3-dinitrobenzene;methyl benzoate
CID 174443884
methyl 3-nitrobenzoate;sulfuryl dichloride
CID 160807486
4-methoxy-1-(3-nitrophenyl)-3,4-dioxobut-1-en-1-olate
CID 4089070
(3-nitrobenzoyl) 3-nitrobenzoate
CID 11001597
N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 35125317
methyl N-[1-(3-nitrophenyl)propylideneamino]carbamate
CID 91942410

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(3-nitrophenyl)ethenol?
The IUPAC name of 2-methoxy-2-(3-nitrophenyl)ethenol (CID 71420085) is 2-methoxy-2-(3-nitrophenyl)ethenol.
What is the SMILES notation for 2-methoxy-2-(3-nitrophenyl)ethenol?
The canonical SMILES for 2-methoxy-2-(3-nitrophenyl)ethenol is COC(=CO)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methoxy-2-(3-nitrophenyl)ethenol?
The InChIKey is YOZCTNXBKGOLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-14-9(6-11)7-3-2-4-8(5-7)10(12)13/h2-6,11H,1H3.
What are the key properties of 2-methoxy-2-(3-nitrophenyl)ethenol?
2-methoxy-2-(3-nitrophenyl)ethenol has a molecular weight of 195.17 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(3-nitrophenyl)ethenol is sourced from PubChem (CID 71420085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).