5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid

C12H8Cl2O3S — CID 63379886

IUPAC5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C12H8Cl2O3S/c13-7-3-8(14)5-9(4-7)17-6-10-1-2-11(18-10)12(15)16/h1-5H,6H2,(H,15,16)
InChIKeyFEHFMXZYOZIIJH-UHFFFAOYSA-N
MW303.17 g/mol
LogP4.33
Rot. Bonds4

About 5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid

5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid (PubChem CID 63379886) has the molecular formula C12H8Cl2O3S and a molecular weight of 303.17 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid
PubChem CID63379886
Molecular FormulaC12H8Cl2O3S
Molecular Weight303.17 g/mol
Exact Mass301.96
IUPAC Name5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C12H8Cl2O3S/c13-7-3-8(14)5-9(4-7)17-6-10-1-2-11(18-10)12(15)16/h1-5H,6H2,(H,15,16)
InChIKeyFEHFMXZYOZIIJH-UHFFFAOYSA-N
XLogP4.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620512
5-[(3-iodophenoxy)methyl]thiophene-2-carboxylic acid
CID 63380041
5-[(3-fluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 63380111
5-[(4-formylphenoxy)methyl]thiophene-2-carboxylic acid
CID 63380284
5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid
CID 55183087
5-[(3-cyano-5-methoxyphenoxy)methyl]thiophene-2-carboxylic acid
CID 103566249
5-(hydroperoxymethyl)thiophene-2-carboxylic acid
CID 23563914
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carboxylic acid
CID 19620547
5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]thiophene-2-carboxylic acid
CID 63416095
5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397630
5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid
CID 64853998
5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 55055887

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid (CID 63379886) is 5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(COc2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of 5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid?
The InChIKey is FEHFMXZYOZIIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O3S/c13-7-3-8(14)5-9(4-7)17-6-10-1-2-11(18-10)12(15)16/h1-5H,6H2,(H,15,16).
What are the key properties of 5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid?
5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid has a molecular weight of 303.17 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63379886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).