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

C14H14O3S — CID 113404042

IUPAC4-(4-propylphenoxy)thiophene-2-carboxylic acid
SMILESCCCc1ccc(Oc2csc(C(=O)O)c2)cc1
InChIInChI=1S/C14H14O3S/c1-2-3-10-4-6-11(7-5-10)17-12-8-13(14(15)16)18-9-12/h4-9H,2-3H2,1H3,(H,15,16)
InChIKeyAZZPGSGQLOSOJY-UHFFFAOYSA-N
MW262.33 g/mol
LogP4.19
Rot. Bonds5

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

4-(4-propylphenoxy)thiophene-2-carboxylic acid (PubChem CID 113404042) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-(4-propylphenoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-propylphenoxy)thiophene-2-carboxylic acid
PubChem CID113404042
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name4-(4-propylphenoxy)thiophene-2-carboxylic acid
SMILESCCCc1ccc(Oc2csc(C(=O)O)c2)cc1
InChIInChI=1S/C14H14O3S/c1-2-3-10-4-6-11(7-5-10)17-12-8-13(14(15)16)18-9-12/h4-9H,2-3H2,1H3,(H,15,16)
InChIKeyAZZPGSGQLOSOJY-UHFFFAOYSA-N
XLogP4.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid
CID 113404027
4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid
CID 19620562
4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid
CID 66436276
4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66436440
4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436441
4-(2-propoxyethoxy)thiophene-2-carboxylic acid
CID 106449466
3-[4-(4-propylphenoxy)phenyl]prop-2-enoic acid
CID 20989085
3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid
CID 142698609
4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid
CID 66437990
4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 66436717
4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid
CID 66437150
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 66439309

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenoxy)thiophene-2-carboxylic acid?
The IUPAC name of 4-(4-propylphenoxy)thiophene-2-carboxylic acid (CID 113404042) is 4-(4-propylphenoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(4-propylphenoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(4-propylphenoxy)thiophene-2-carboxylic acid is CCCc1ccc(Oc2csc(C(=O)O)c2)cc1.
What is the InChIKey of 4-(4-propylphenoxy)thiophene-2-carboxylic acid?
The InChIKey is AZZPGSGQLOSOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-2-3-10-4-6-11(7-5-10)17-12-8-13(14(15)16)18-9-12/h4-9H,2-3H2,1H3,(H,15,16).
What are the key properties of 4-(4-propylphenoxy)thiophene-2-carboxylic acid?
4-(4-propylphenoxy)thiophene-2-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 113404042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).