3-methoxythiophene-2-carboxylic acid

C6H6O3S — CID 1483475

IUPAC3-methoxythiophene-2-carboxylic acid
SMILESCOc1ccsc1C(=O)O
InChIInChI=1S/C6H6O3S/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKeyLSSMRBBQCHSDNS-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.45
Rot. Bonds2

About 3-methoxythiophene-2-carboxylic acid

3-methoxythiophene-2-carboxylic acid (PubChem CID 1483475) has the molecular formula C6H6O3S and a molecular weight of 158.18 g/mol. Its IUPAC name is 3-methoxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxythiophene-2-carboxylic acid
PubChem CID1483475
Molecular FormulaC6H6O3S
Molecular Weight158.18 g/mol
Exact Mass158.00
IUPAC Name3-methoxythiophene-2-carboxylic acid
SMILESCOc1ccsc1C(=O)O
InChIInChI=1S/C6H6O3S/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKeyLSSMRBBQCHSDNS-UHFFFAOYSA-N
XLogP1.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-ethoxythiophene-2-carboxylate
CID 2777650
3-Ethoxythiophene-2-carboxylic acid
CID 2777652
3-Hydroxythiophene-2-carboxylic acid
CID 54715543
3-Hydroxy-thiophene-2-carboxylic acid methyl ester
CID 581127
Methyl 3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate
CID 3567902
2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester
CID 75095
Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate
CID 2759855
3-(Carboxymethoxy)thiophene-2-carboxylic acid
CID 15588112
Methyl 3-(2-ethoxy-1-methyl-2-oxoethoxy)-2-thiophenecarboxylate
CID 3848343
5-Methoxythiophene-2-carboxylic acid
CID 5188119
Methyl 3-methoxythiophene-2-carboxylate
CID 701637
Methyl 4-methoxythiophene-2-carboxylate
CID 12646620

Frequently Asked Questions

What is the IUPAC name of 3-methoxythiophene-2-carboxylic acid?
The IUPAC name of 3-methoxythiophene-2-carboxylic acid (CID 1483475) is 3-methoxythiophene-2-carboxylic acid.
What is the SMILES notation for 3-methoxythiophene-2-carboxylic acid?
The canonical SMILES for 3-methoxythiophene-2-carboxylic acid is COc1ccsc1C(=O)O.
What is the InChIKey of 3-methoxythiophene-2-carboxylic acid?
The InChIKey is LSSMRBBQCHSDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3S/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3,(H,7,8).
What are the key properties of 3-methoxythiophene-2-carboxylic acid?
3-methoxythiophene-2-carboxylic acid has a molecular weight of 158.18 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxythiophene-2-carboxylic acid is sourced from PubChem (CID 1483475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).