4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid

C14H14O4S — CID 113404027

IUPAC4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid
SMILESCOCCc1ccc(Oc2csc(C(=O)O)c2)cc1
InChIInChI=1S/C14H14O4S/c1-17-7-6-10-2-4-11(5-3-10)18-12-8-13(14(15)16)19-9-12/h2-5,8-9H,6-7H2,1H3,(H,15,16)
InChIKeyFIFRHLIZWCYQEB-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.43
Rot. Bonds6

About 4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid

4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid (PubChem CID 113404027) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid
PubChem CID113404027
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid
SMILESCOCCc1ccc(Oc2csc(C(=O)O)c2)cc1
InChIInChI=1S/C14H14O4S/c1-17-7-6-10-2-4-11(5-3-10)18-12-8-13(14(15)16)19-9-12/h2-5,8-9H,6-7H2,1H3,(H,15,16)
InChIKeyFIFRHLIZWCYQEB-UHFFFAOYSA-N
XLogP3.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-propylphenoxy)thiophene-2-carboxylic acid
CID 113404042
4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66436440
1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
CID 145141271
4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid
CID 66439068
4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid
CID 19620562
4-(4-bromo-3,5-dimethylphenoxy)thiophene-2-carboxylic acid
CID 107724907
4-chloro-2-[4-(2-methoxyethyl)phenoxy]-1,3-thiazole-5-carboxylic acid
CID 80693618
4-(4-methoxy-3-nitrophenoxy)thiophene-2-carboxylic acid
CID 103201799
2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 43352053
5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid
CID 81447219
3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid
CID 43538057
2-bromo-6-[4-(2-methoxyethyl)phenoxy]benzoic acid
CID 114888627

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid (CID 113404027) is 4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid is COCCc1ccc(Oc2csc(C(=O)O)c2)cc1.
What is the InChIKey of 4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid?
The InChIKey is FIFRHLIZWCYQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-17-7-6-10-2-4-11(5-3-10)18-12-8-13(14(15)16)19-9-12/h2-5,8-9H,6-7H2,1H3,(H,15,16).
What are the key properties of 4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid?
4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 113404027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).