2-chloro-5-ethyl-3-nitrophenol

C8H8ClNO3 — CID 165153048

IUPAC2-chloro-5-ethyl-3-nitrophenol
SMILESCCc1cc(O)c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8ClNO3/c1-2-5-3-6(10(12)13)8(9)7(11)4-5/h3-4,11H,2H2,1H3
InChIKeyUSJOLXJXTKGLEL-UHFFFAOYSA-N
MW201.61 g/mol
LogP2.52
Rot. Bonds2

About 2-chloro-5-ethyl-3-nitrophenol

2-chloro-5-ethyl-3-nitrophenol (PubChem CID 165153048) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-chloro-5-ethyl-3-nitrophenol.

Molecular Properties

Compound Name2-chloro-5-ethyl-3-nitrophenol
PubChem CID165153048
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name2-chloro-5-ethyl-3-nitrophenol
SMILESCCc1cc(O)c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8ClNO3/c1-2-5-3-6(10(12)13)8(9)7(11)4-5/h3-4,11H,2H2,1H3
InChIKeyUSJOLXJXTKGLEL-UHFFFAOYSA-N
XLogP2.52
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 52.52
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

4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen
CID 176693426
4-chloro-2-ethyl-3-hydroxy-5-nitrobenzoic acid
CID 163407322
2-[(1S)-1-amino-2-hydroxyethyl]-4-ethyl-6-nitrophenol
CID 66514974
5-ethyl-2-methoxy-3-nitrobenzoyl chloride
CID 50882213
2,3,4-trichloro-1,5-dinitrobenzene
CID 22875
5-butyl-2,3-dinitrophenol
CID 101292284
5-(hydroxymethyl)-3-nitrobenzene-1,2-diol
CID 18990374
4-chloro-3-methyl-5-nitrophenol
CID 118799935
1,2-dichloro-5-(chloromethyl)-3-nitrobenzene
CID 130969109
2-ethyl-3-nitrophenol
CID 59302303
2-diethoxyphosphoryl-4-ethyl-6-nitrophenol
CID 175647293
4-ethyl-2-nitro-6-pent-4-en-2-ylphenol
CID 11107312

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethyl-3-nitrophenol?
The IUPAC name of 2-chloro-5-ethyl-3-nitrophenol (CID 165153048) is 2-chloro-5-ethyl-3-nitrophenol.
What is the SMILES notation for 2-chloro-5-ethyl-3-nitrophenol?
The canonical SMILES for 2-chloro-5-ethyl-3-nitrophenol is CCc1cc(O)c(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-5-ethyl-3-nitrophenol?
The InChIKey is USJOLXJXTKGLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-2-5-3-6(10(12)13)8(9)7(11)4-5/h3-4,11H,2H2,1H3.
What are the key properties of 2-chloro-5-ethyl-3-nitrophenol?
2-chloro-5-ethyl-3-nitrophenol has a molecular weight of 201.61 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-3-nitrophenol is sourced from PubChem (CID 165153048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).