2,4-dichloro-3-ethyl-6-nitrophenol

C8H7Cl2NO3 — CID 7020339

IUPAC2,4-dichloro-3-ethyl-6-nitrophenol
SMILESCCc1c(Cl)cc([N+](=O)[O-])c(O)c1Cl
InChIInChI=1S/C8H7Cl2NO3/c1-2-4-5(9)3-6(11(13)14)8(12)7(4)10/h3,12H,2H2,1H3
InChIKeyYTVCECQSAPGJBB-UHFFFAOYSA-N
MW236.05 g/mol
LogP3.17
Rot. Bonds2

About 2,4-dichloro-3-ethyl-6-nitrophenol

2,4-dichloro-3-ethyl-6-nitrophenol (PubChem CID 7020339) has the molecular formula C8H7Cl2NO3 and a molecular weight of 236.05 g/mol. Its IUPAC name is 2,4-dichloro-3-ethyl-6-nitrophenol.

Molecular Properties

Compound Name2,4-dichloro-3-ethyl-6-nitrophenol
PubChem CID7020339
Molecular FormulaC8H7Cl2NO3
Molecular Weight236.05 g/mol
Exact Mass234.98
IUPAC Name2,4-dichloro-3-ethyl-6-nitrophenol
SMILESCCc1c(Cl)cc([N+](=O)[O-])c(O)c1Cl
InChIInChI=1S/C8H7Cl2NO3/c1-2-4-5(9)3-6(11(13)14)8(12)7(4)10/h3,12H,2H2,1H3
InChIKeyYTVCECQSAPGJBB-UHFFFAOYSA-N
XLogP3.17
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.05
LogP ≤ 53.17
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 2,4-dichloro-3-ethyl-6-nitrophenol?
The IUPAC name of 2,4-dichloro-3-ethyl-6-nitrophenol (CID 7020339) is 2,4-dichloro-3-ethyl-6-nitrophenol.
What is the SMILES notation for 2,4-dichloro-3-ethyl-6-nitrophenol?
The canonical SMILES for 2,4-dichloro-3-ethyl-6-nitrophenol is CCc1c(Cl)cc([N+](=O)[O-])c(O)c1Cl.
What is the InChIKey of 2,4-dichloro-3-ethyl-6-nitrophenol?
The InChIKey is YTVCECQSAPGJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO3/c1-2-4-5(9)3-6(11(13)14)8(12)7(4)10/h3,12H,2H2,1H3.
What are the key properties of 2,4-dichloro-3-ethyl-6-nitrophenol?
2,4-dichloro-3-ethyl-6-nitrophenol has a molecular weight of 236.05 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-ethyl-6-nitrophenol is sourced from PubChem (CID 7020339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).