2-chloro-6-ethoxy-4-nitrophenol

C8H8ClNO4 — CID 71327079

IUPAC2-chloro-6-ethoxy-4-nitrophenol
SMILESCCOc1cc([N+](=O)[O-])cc(Cl)c1O
InChIInChI=1S/C8H8ClNO4/c1-2-14-7-4-5(10(12)13)3-6(9)8(7)11/h3-4,11H,2H2,1H3
InChIKeyPYZGFMJIKXCMCL-UHFFFAOYSA-N
MW217.61 g/mol
LogP2.35
Rot. Bonds3

About 2-chloro-6-ethoxy-4-nitrophenol

2-chloro-6-ethoxy-4-nitrophenol (PubChem CID 71327079) has the molecular formula C8H8ClNO4 and a molecular weight of 217.61 g/mol. Its IUPAC name is 2-chloro-6-ethoxy-4-nitrophenol.

Molecular Properties

Compound Name2-chloro-6-ethoxy-4-nitrophenol
PubChem CID71327079
Molecular FormulaC8H8ClNO4
Molecular Weight217.61 g/mol
Exact Mass217.01
IUPAC Name2-chloro-6-ethoxy-4-nitrophenol
SMILESCCOc1cc([N+](=O)[O-])cc(Cl)c1O
InChIInChI=1S/C8H8ClNO4/c1-2-14-7-4-5(10(12)13)3-6(9)8(7)11/h3-4,11H,2H2,1H3
InChIKeyPYZGFMJIKXCMCL-UHFFFAOYSA-N
XLogP2.35
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-chloro-3-ethoxy-2-methoxy-5-nitrobenzene
CID 125116075
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
4-amino-2-chloro-6-ethoxyphenol
CID 86120469
2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135730506
1-chloro-2-methoxy-5-nitro-3-propoxybenzene
CID 125116278
1-[3-[(2-chloro-4-nitrophenoxy)methyl]-4-ethoxyphenyl]ethanone
CID 35796656
(5E)-5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126353167
N-[4-chloro-3-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]butanamide
CID 4508373
1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene
CID 91404265
5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 6809616
2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol
CID 19983648
2-bromo-3-ethoxy-5-nitropyridine
CID 119000292

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethoxy-4-nitrophenol?
The IUPAC name of 2-chloro-6-ethoxy-4-nitrophenol (CID 71327079) is 2-chloro-6-ethoxy-4-nitrophenol.
What is the SMILES notation for 2-chloro-6-ethoxy-4-nitrophenol?
The canonical SMILES for 2-chloro-6-ethoxy-4-nitrophenol is CCOc1cc([N+](=O)[O-])cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-ethoxy-4-nitrophenol?
The InChIKey is PYZGFMJIKXCMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO4/c1-2-14-7-4-5(10(12)13)3-6(9)8(7)11/h3-4,11H,2H2,1H3.
What are the key properties of 2-chloro-6-ethoxy-4-nitrophenol?
2-chloro-6-ethoxy-4-nitrophenol has a molecular weight of 217.61 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethoxy-4-nitrophenol is sourced from PubChem (CID 71327079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).