methyl 3-methoxythiophene-2-carboxylate

C7H8O3S — CID 701637

IUPACmethyl 3-methoxythiophene-2-carboxylate
SMILESCOC(=O)c1sccc1OC
InChIInChI=1S/C7H8O3S/c1-9-5-3-4-11-6(5)7(8)10-2/h3-4H,1-2H3
InChIKeyMWADWXJPBMFRGL-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.54
Rot. Bonds2

About methyl 3-methoxythiophene-2-carboxylate

methyl 3-methoxythiophene-2-carboxylate (PubChem CID 701637) has the molecular formula C7H8O3S and a molecular weight of 172.20 g/mol. Its IUPAC name is methyl 3-methoxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxythiophene-2-carboxylate
PubChem CID701637
Molecular FormulaC7H8O3S
Molecular Weight172.20 g/mol
Exact Mass172.02
IUPAC Namemethyl 3-methoxythiophene-2-carboxylate
SMILESCOC(=O)c1sccc1OC
InChIInChI=1S/C7H8O3S/c1-9-5-3-4-11-6(5)7(8)10-2/h3-4H,1-2H3
InChIKeyMWADWXJPBMFRGL-UHFFFAOYSA-N
XLogP1.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methoxythiophene-2-carboxylic acid
CID 1483475
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
Methyl 4-bromo-3-methoxythiophene-2-carboxylate
CID 2736824
2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester
CID 75095
3-Methoxythiophene-2-carbaldehyde
CID 588315
3-(Carboxymethoxy)thiophene-2-carboxylic acid
CID 15588112
Methyl 3-(2-ethoxy-1-methyl-2-oxoethoxy)-2-thiophenecarboxylate
CID 3848343
Methyl 4-methoxythiophene-2-carboxylate
CID 12646620

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxythiophene-2-carboxylate?
The IUPAC name of methyl 3-methoxythiophene-2-carboxylate (CID 701637) is methyl 3-methoxythiophene-2-carboxylate.
What is the SMILES notation for methyl 3-methoxythiophene-2-carboxylate?
The canonical SMILES for methyl 3-methoxythiophene-2-carboxylate is COC(=O)c1sccc1OC.
What is the InChIKey of methyl 3-methoxythiophene-2-carboxylate?
The InChIKey is MWADWXJPBMFRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S/c1-9-5-3-4-11-6(5)7(8)10-2/h3-4H,1-2H3.
What are the key properties of methyl 3-methoxythiophene-2-carboxylate?
methyl 3-methoxythiophene-2-carboxylate has a molecular weight of 172.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxythiophene-2-carboxylate is sourced from PubChem (CID 701637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).