4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid

C15H16O3S — CID 19620562

IUPAC4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid
SMILESCCCc1ccc(OCc2csc(C(=O)O)c2)cc1
InChIInChI=1S/C15H16O3S/c1-2-3-11-4-6-13(7-5-11)18-9-12-8-14(15(16)17)19-10-12/h4-8,10H,2-3,9H2,1H3,(H,16,17)
InChIKeyCSWPNEPUJPHPBE-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.98
Rot. Bonds6

About 4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid

4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid (PubChem CID 19620562) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid
PubChem CID19620562
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid
SMILESCCCc1ccc(OCc2csc(C(=O)O)c2)cc1
InChIInChI=1S/C15H16O3S/c1-2-3-11-4-6-13(7-5-11)18-9-12-8-14(15(16)17)19-10-12/h4-8,10H,2-3,9H2,1H3,(H,16,17)
InChIKeyCSWPNEPUJPHPBE-UHFFFAOYSA-N
XLogP3.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620576
4-(4-propylphenoxy)thiophene-2-carboxylic acid
CID 113404042
N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471527
4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66436440
methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate
CID 167967974
N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469568
5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 62548376
4-[(4-propylphenoxy)methyl]benzoate
CID 2336592
4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66438880
bis(4-propylthiophen-2-yl)methanone
CID 67902455
4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid
CID 66436704
4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid
CID 63530139

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid (CID 19620562) is 4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid is CCCc1ccc(OCc2csc(C(=O)O)c2)cc1.
What is the InChIKey of 4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid?
The InChIKey is CSWPNEPUJPHPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-2-3-11-4-6-13(7-5-11)18-9-12-8-14(15(16)17)19-10-12/h4-8,10H,2-3,9H2,1H3,(H,16,17).
What are the key properties of 4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid?
4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 19620562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).