4-(2-nitrophenoxy)thiophene-2-carboxylic acid

C11H7NO5S — CID 66437575

IUPAC4-(2-nitrophenoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccccc2[N+](=O)[O-])cs1
InChIInChI=1S/C11H7NO5S/c13-11(14)10-5-7(6-18-10)17-9-4-2-1-3-8(9)12(15)16/h1-6H,(H,13,14)
InChIKeyNYGMIHWHIWYDRD-UHFFFAOYSA-N
MW265.25 g/mol
LogP3.15
Rot. Bonds4

About 4-(2-nitrophenoxy)thiophene-2-carboxylic acid

4-(2-nitrophenoxy)thiophene-2-carboxylic acid (PubChem CID 66437575) has the molecular formula C11H7NO5S and a molecular weight of 265.25 g/mol. Its IUPAC name is 4-(2-nitrophenoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-nitrophenoxy)thiophene-2-carboxylic acid
PubChem CID66437575
Molecular FormulaC11H7NO5S
Molecular Weight265.25 g/mol
Exact Mass265.00
IUPAC Name4-(2-nitrophenoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccccc2[N+](=O)[O-])cs1
InChIInChI=1S/C11H7NO5S/c13-11(14)10-5-7(6-18-10)17-9-4-2-1-3-8(9)12(15)16/h1-6H,(H,13,14)
InChIKeyNYGMIHWHIWYDRD-UHFFFAOYSA-N
XLogP3.15
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,4-dinitrophenoxy)thiophene-2-carboxylic acid
CID 66438461
4-(5-bromo-2-nitrophenoxy)thiophene-2-carboxylic acid
CID 66439118
4-(4-carbamoyl-2-nitrophenoxy)thiophene-2-carboxylic acid
CID 66438239
4-(2-cyanophenoxy)thiophene-2-carboxylic acid
CID 66438025
4-(4-methoxy-3-nitrophenoxy)thiophene-2-carboxylic acid
CID 103201799
4-(2-fluoro-5-methyl-4-nitrophenoxy)thiophene-2-carboxylic acid
CID 114417014
4-(2-cyano-4-nitrophenoxy)thiophene-2-carboxylic acid
CID 66438462
4-(2-chloro-4-nitrophenoxy)thiophene-2-carboxylic acid
CID 66437146
4-(2-chloro-5-nitrophenoxy)thiophene-2-carboxylic acid
CID 113404043
2-(2-nitrophenoxy)benzoic acid
CID 19922477
3-bromo-5-(2-nitrophenoxy)benzoic acid
CID 102823646
4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid
CID 113404010

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenoxy)thiophene-2-carboxylic acid?
The IUPAC name of 4-(2-nitrophenoxy)thiophene-2-carboxylic acid (CID 66437575) is 4-(2-nitrophenoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2-nitrophenoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(2-nitrophenoxy)thiophene-2-carboxylic acid is O=C(O)c1cc(Oc2ccccc2[N+](=O)[O-])cs1.
What is the InChIKey of 4-(2-nitrophenoxy)thiophene-2-carboxylic acid?
The InChIKey is NYGMIHWHIWYDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO5S/c13-11(14)10-5-7(6-18-10)17-9-4-2-1-3-8(9)12(15)16/h1-6H,(H,13,14).
What are the key properties of 4-(2-nitrophenoxy)thiophene-2-carboxylic acid?
4-(2-nitrophenoxy)thiophene-2-carboxylic acid has a molecular weight of 265.25 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 66437575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).