4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid

C12H12O3S2 — CID 66436704

IUPAC4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid
SMILESCCc1ccc(COc2csc(C(=O)O)c2)s1
InChIInChI=1S/C12H12O3S2/c1-2-9-3-4-10(17-9)6-15-8-5-11(12(13)14)16-7-8/h3-5,7H,2,6H2,1H3,(H,13,14)
InChIKeyCFUZKHDRNSKUOY-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.65
Rot. Bonds5

About 4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid

4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 66436704) has the molecular formula C12H12O3S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID66436704
Molecular FormulaC12H12O3S2
Molecular Weight268.36 g/mol
Exact Mass268.02
IUPAC Name4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid
SMILESCCc1ccc(COc2csc(C(=O)O)c2)s1
InChIInChI=1S/C12H12O3S2/c1-2-9-3-4-10(17-9)6-15-8-5-11(12(13)14)16-7-8/h3-5,7H,2,6H2,1H3,(H,13,14)
InChIKeyCFUZKHDRNSKUOY-UHFFFAOYSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66436440
4-[(5-ethylthiophen-2-yl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79150186
4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66438880
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid
CID 66439304
4-(2-propoxyethoxy)thiophene-2-carboxylic acid
CID 106449466
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 66439309
4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436441
4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
CID 66436693
4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 103046291
4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid
CID 19620562
4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid
CID 43379865
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437368

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid (CID 66436704) is 4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid is CCc1ccc(COc2csc(C(=O)O)c2)s1.
What is the InChIKey of 4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is CFUZKHDRNSKUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3S2/c1-2-9-3-4-10(17-9)6-15-8-5-11(12(13)14)16-7-8/h3-5,7H,2,6H2,1H3,(H,13,14).
What are the key properties of 4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid?
4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66436704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).