4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid

C13H12O5S — CID 113404010

IUPAC4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid
SMILESCOc1cccc(OC)c1Oc1csc(C(=O)O)c1
InChIInChI=1S/C13H12O5S/c1-16-9-4-3-5-10(17-2)12(9)18-8-6-11(13(14)15)19-7-8/h3-7H,1-2H3,(H,14,15)
InChIKeyPRECKEQFTMZWNX-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.26
Rot. Bonds5

About 4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid

4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid (PubChem CID 113404010) has the molecular formula C13H12O5S and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid
PubChem CID113404010
Molecular FormulaC13H12O5S
Molecular Weight280.30 g/mol
Exact Mass280.04
IUPAC Name4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid
SMILESCOc1cccc(OC)c1Oc1csc(C(=O)O)c1
InChIInChI=1S/C13H12O5S/c1-16-9-4-3-5-10(17-2)12(9)18-8-6-11(13(14)15)19-7-8/h3-7H,1-2H3,(H,14,15)
InChIKeyPRECKEQFTMZWNX-UHFFFAOYSA-N
XLogP3.26
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-cyanophenoxy)thiophene-2-carboxylic acid
CID 66438025
4-(4-methoxy-3-nitrophenoxy)thiophene-2-carboxylic acid
CID 103201799
4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid
CID 62136478
4-(2-nitrophenoxy)thiophene-2-carboxylic acid
CID 66437575
4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66438880
4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid
CID 106541785
4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid
CID 113404027
4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66437759
4-(2,1-benzothiazol-3-yloxy)thiophene-2-carboxylic acid
CID 66436273
4-(4-bromo-3,5-dimethylphenoxy)thiophene-2-carboxylic acid
CID 107724907
4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66436440
4-(4-propylphenoxy)thiophene-2-carboxylic acid
CID 113404042

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid?
The IUPAC name of 4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid (CID 113404010) is 4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid is COc1cccc(OC)c1Oc1csc(C(=O)O)c1.
What is the InChIKey of 4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid?
The InChIKey is PRECKEQFTMZWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O5S/c1-16-9-4-3-5-10(17-2)12(9)18-8-6-11(13(14)15)19-7-8/h3-7H,1-2H3,(H,14,15).
What are the key properties of 4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid?
4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 113404010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).