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

C12H7NO3S — CID 66438025

IUPAC4-(2-cyanophenoxy)thiophene-2-carboxylic acid
SMILESN#Cc1ccccc1Oc1csc(C(=O)O)c1
InChIInChI=1S/C12H7NO3S/c13-6-8-3-1-2-4-10(8)16-9-5-11(12(14)15)17-7-9/h1-5,7H,(H,14,15)
InChIKeyMFOZMTKSZVLCOT-UHFFFAOYSA-N
MW245.26 g/mol
LogP3.11
Rot. Bonds3

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

4-(2-cyanophenoxy)thiophene-2-carboxylic acid (PubChem CID 66438025) has the molecular formula C12H7NO3S and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-(2-cyanophenoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyanophenoxy)thiophene-2-carboxylic acid
PubChem CID66438025
Molecular FormulaC12H7NO3S
Molecular Weight245.26 g/mol
Exact Mass245.01
IUPAC Name4-(2-cyanophenoxy)thiophene-2-carboxylic acid
SMILESN#Cc1ccccc1Oc1csc(C(=O)O)c1
InChIInChI=1S/C12H7NO3S/c13-6-8-3-1-2-4-10(8)16-9-5-11(12(14)15)17-7-9/h1-5,7H,(H,14,15)
InChIKeyMFOZMTKSZVLCOT-UHFFFAOYSA-N
XLogP3.11
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyano-4-nitrophenoxy)thiophene-2-carboxylic acid
CID 66438462
4-(2-nitrophenoxy)thiophene-2-carboxylic acid
CID 66437575
4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 66436274
4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid
CID 113404010
4-(2,4-dinitrophenoxy)thiophene-2-carboxylic acid
CID 66438461
4-(2-cyanophenoxy)benzamide
CID 28825078
2-(2-cyanophenoxy)benzonitrile
CID 13435570
4-(4-carbamoyl-2-nitrophenoxy)thiophene-2-carboxylic acid
CID 66438239
4-(5-bromo-2-nitrophenoxy)thiophene-2-carboxylic acid
CID 66439118
4-(2,1-benzothiazol-3-yloxy)thiophene-2-carboxylic acid
CID 66436273
2-(3,4-difluorophenoxy)benzonitrile
CID 43429840
2-(3-bromophenoxy)benzonitrile
CID 28602353

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenoxy)thiophene-2-carboxylic acid?
The IUPAC name of 4-(2-cyanophenoxy)thiophene-2-carboxylic acid (CID 66438025) is 4-(2-cyanophenoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2-cyanophenoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(2-cyanophenoxy)thiophene-2-carboxylic acid is N#Cc1ccccc1Oc1csc(C(=O)O)c1.
What is the InChIKey of 4-(2-cyanophenoxy)thiophene-2-carboxylic acid?
The InChIKey is MFOZMTKSZVLCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO3S/c13-6-8-3-1-2-4-10(8)16-9-5-11(12(14)15)17-7-9/h1-5,7H,(H,14,15).
What are the key properties of 4-(2-cyanophenoxy)thiophene-2-carboxylic acid?
4-(2-cyanophenoxy)thiophene-2-carboxylic acid has a molecular weight of 245.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 66438025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).