4-chloro-2-ethyl-6-nitrophenol

C8H8ClNO3 — CID 3041039

IUPAC4-chloro-2-ethyl-6-nitrophenol
SMILESCCc1cc(Cl)cc([N+](=O)[O-])c1O
InChIInChI=1S/C8H8ClNO3/c1-2-5-3-6(9)4-7(8(5)11)10(12)13/h3-4,11H,2H2,1H3
InChIKeyCDHJZGNGWPTAEO-UHFFFAOYSA-N
MW201.61 g/mol
LogP2.52
Rot. Bonds2

About 4-chloro-2-ethyl-6-nitrophenol

4-chloro-2-ethyl-6-nitrophenol (PubChem CID 3041039) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-nitrophenol
PubChem CID3041039
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name4-chloro-2-ethyl-6-nitrophenol
SMILESCCc1cc(Cl)cc([N+](=O)[O-])c1O
InChIInChI=1S/C8H8ClNO3/c1-2-5-3-6(9)4-7(8(5)11)10(12)13/h3-4,11H,2H2,1H3
InChIKeyCDHJZGNGWPTAEO-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-nitrophenol?
The IUPAC name of 4-chloro-2-ethyl-6-nitrophenol (CID 3041039) is 4-chloro-2-ethyl-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-ethyl-6-nitrophenol?
The canonical SMILES for 4-chloro-2-ethyl-6-nitrophenol is CCc1cc(Cl)cc([N+](=O)[O-])c1O.
What is the InChIKey of 4-chloro-2-ethyl-6-nitrophenol?
The InChIKey is CDHJZGNGWPTAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-2-5-3-6(9)4-7(8(5)11)10(12)13/h3-4,11H,2H2,1H3.
What are the key properties of 4-chloro-2-ethyl-6-nitrophenol?
4-chloro-2-ethyl-6-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 4-chloro-2-ethyl-6-nitrophenol is sourced from PubChem (CID 3041039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).