2-ethenyl-3-nitrophenol

C8H7NO3 — CID 10583166

IUPAC2-ethenyl-3-nitrophenol
SMILESC=Cc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H7NO3/c1-2-6-7(9(11)12)4-3-5-8(6)10/h2-5,10H,1H2
InChIKeyGUYSITOUQFPRCG-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.94
Rot. Bonds2

About 2-ethenyl-3-nitrophenol

2-ethenyl-3-nitrophenol (PubChem CID 10583166) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-ethenyl-3-nitrophenol.

Molecular Properties

Compound Name2-ethenyl-3-nitrophenol
PubChem CID10583166
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name2-ethenyl-3-nitrophenol
SMILESC=Cc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H7NO3/c1-2-6-7(9(11)12)4-3-5-8(6)10/h2-5,10H,1H2
InChIKeyGUYSITOUQFPRCG-UHFFFAOYSA-N
XLogP1.94
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N-(2-hydroxy-6-nitrophenyl)prop-2-enamide
CID 107679556
2-ethyl-3-nitrophenol
CID 59302303
1-ethenyl-2-nitrobenzene;phenol
CID 174937072
disodium;hydride;2-nitrophenol
CID 174745512
methanol;2-nitrophenol
CID 157303764
formamide;2-nitrophenol
CID 20538790
(2,6-dinitrophenyl)methylidenehydrazine
CID 168530907
(2-hydroxy-6-nitrophenyl)mercury;hydrate
CID 21455177
sodium;hydride;3-nitro-2-phenylphenol
CID 175105710
N-(2-hydroxy-6-nitrophenyl)but-3-enamide
CID 107681224
1-hydroxy-3-nitro-2-(sulfamoylamino)benzene
CID 107681501
2,3-dinitrophenol;2,3,4-trinitrophenol
CID 88658203

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-nitrophenol?
The IUPAC name of 2-ethenyl-3-nitrophenol (CID 10583166) is 2-ethenyl-3-nitrophenol.
What is the SMILES notation for 2-ethenyl-3-nitrophenol?
The canonical SMILES for 2-ethenyl-3-nitrophenol is C=Cc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-ethenyl-3-nitrophenol?
The InChIKey is GUYSITOUQFPRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-2-6-7(9(11)12)4-3-5-8(6)10/h2-5,10H,1H2.
What are the key properties of 2-ethenyl-3-nitrophenol?
2-ethenyl-3-nitrophenol has a molecular weight of 165.15 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-nitrophenol is sourced from PubChem (CID 10583166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).