2-ethyl-3-nitrophenol

C8H9NO3 — CID 59302303

IUPAC2-ethyl-3-nitrophenol
SMILESCCc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H9NO3/c1-2-6-7(9(11)12)4-3-5-8(6)10/h3-5,10H,2H2,1H3
InChIKeyLURXLHMEBQCOGN-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.86
Rot. Bonds2

About 2-ethyl-3-nitrophenol

2-ethyl-3-nitrophenol (PubChem CID 59302303) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-ethyl-3-nitrophenol.

Molecular Properties

Compound Name2-ethyl-3-nitrophenol
PubChem CID59302303
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-ethyl-3-nitrophenol
SMILESCCc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H9NO3/c1-2-6-7(9(11)12)4-3-5-8(6)10/h3-5,10H,2H2,1H3
InChIKeyLURXLHMEBQCOGN-UHFFFAOYSA-N
XLogP1.86
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.86
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

2-ethyl-3-nitrobenzoate
CID 21114937
2-ethyl-1-nitro-3-(trifluoromethyl)benzene
CID 121426134
2-(bromomethyl)-1-ethyl-3-nitrobenzene
CID 129096805
methyl 3-(2-hydroxy-6-nitrophenyl)propanoate
CID 174288633
methanol;2-nitrophenol
CID 157303764
1-(3-chloropropyl)-2-ethyl-3-nitrobenzene
CID 118818877
2-(bromomethyl)-1,3-dinitrobenzene
CID 10848958
N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide
CID 141000827
ethyl 2-(hydroxymethyl)-3-nitrobenzoate
CID 141366850
N-[(2-chloro-6-nitrophenyl)methyl]ethanamine
CID 63745777
2-ethenyl-3-nitrophenol
CID 10583166
3-nitro-2-propylaniline
CID 70010026

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-nitrophenol?
The IUPAC name of 2-ethyl-3-nitrophenol (CID 59302303) is 2-ethyl-3-nitrophenol.
What is the SMILES notation for 2-ethyl-3-nitrophenol?
The canonical SMILES for 2-ethyl-3-nitrophenol is CCc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-ethyl-3-nitrophenol?
The InChIKey is LURXLHMEBQCOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-2-6-7(9(11)12)4-3-5-8(6)10/h3-5,10H,2H2,1H3.
What are the key properties of 2-ethyl-3-nitrophenol?
2-ethyl-3-nitrophenol has a molecular weight of 167.16 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-nitrophenol is sourced from PubChem (CID 59302303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).