3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid

C8H7ClO3S — CID 77012059

IUPAC3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCC=CCl
InChIInChI=1S/C8H7ClO3S/c9-3-1-4-12-6-2-5-13-7(6)8(10)11/h1-3,5H,4H2,(H,10,11)
InChIKeyBECUJIWKXCYUAD-UHFFFAOYSA-N
MW218.66 g/mol
LogP2.58
Rot. Bonds4

About 3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid

3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid (PubChem CID 77012059) has the molecular formula C8H7ClO3S and a molecular weight of 218.66 g/mol. Its IUPAC name is 3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid
PubChem CID77012059
Molecular FormulaC8H7ClO3S
Molecular Weight218.66 g/mol
Exact Mass217.98
IUPAC Name3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCC=CCl
InChIInChI=1S/C8H7ClO3S/c9-3-1-4-12-6-2-5-13-7(6)8(10)11/h1-3,5H,4H2,(H,10,11)
InChIKeyBECUJIWKXCYUAD-UHFFFAOYSA-N
XLogP2.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloroprop-2-enoxy)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

3-(3-methylbut-2-enoxy)thiophene-2-carboxylic acid
CID 63338354
3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid
CID 132917329
3-(2-phenylethoxy)thiophene-2-carboxylic acid
CID 55203100
3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid
CID 64553522
3-[(2,3,4,5,6-pentafluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 63335962
3-but-3-ynoxythiophene-2-carboxylic acid
CID 63338399
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63338533
3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid
CID 63774713
3-(3-methylbut-3-enoxy)thiophene-2-carboxylic acid
CID 114471319
3-[2-(2,2,2-trifluoroethoxy)ethoxy]thiophene-2-carboxylic acid
CID 63336275
3-(3-phenylprop-2-ynoxy)thiophene-2-carboxylic acid
CID 55202524
3-[3-(dimethylamino)butoxy]thiophene-2-carboxylic acid
CID 82037737

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid?
The IUPAC name of 3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid (CID 77012059) is 3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid is O=C(O)c1sccc1OCC=CCl.
What is the InChIKey of 3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid?
The InChIKey is BECUJIWKXCYUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3S/c9-3-1-4-12-6-2-5-13-7(6)8(10)11/h1-3,5H,4H2,(H,10,11).
What are the key properties of 3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid?
3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid has a molecular weight of 218.66 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 77012059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).