4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid

C13H11ClO4S — CID 66437353

IUPAC4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCCOc2cccc(Cl)c2)cs1
InChIInChI=1S/C13H11ClO4S/c14-9-2-1-3-10(6-9)17-4-5-18-11-7-12(13(15)16)19-8-11/h1-3,6-8H,4-5H2,(H,15,16)
InChIKeyKIWBPNIGJOZELV-UHFFFAOYSA-N
MW298.75 g/mol
LogP3.56
Rot. Bonds6

About 4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid

4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid (PubChem CID 66437353) has the molecular formula C13H11ClO4S and a molecular weight of 298.75 g/mol. Its IUPAC name is 4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid
PubChem CID66437353
Molecular FormulaC13H11ClO4S
Molecular Weight298.75 g/mol
Exact Mass298.01
IUPAC Name4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCCOc2cccc(Cl)c2)cs1
InChIInChI=1S/C13H11ClO4S/c14-9-2-1-3-10(6-9)17-4-5-18-11-7-12(13(15)16)19-8-11/h1-3,6-8H,4-5H2,(H,15,16)
InChIKeyKIWBPNIGJOZELV-UHFFFAOYSA-N
XLogP3.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(3-chlorophenoxy)ethoxy]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

(2S)-2-[2-(3-chlorophenoxy)ethoxy]propanoic acid
CID 104876454
4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 103046291
2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191168
5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid
CID 60651656
CID 131885829
CID 131885829
4-(2-propoxyethoxy)thiophene-2-carboxylic acid
CID 106449466
2-(3-chlorophenoxy)-1-thiophen-2-ylethanone
CID 60625787
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
3-(3-chlorophenoxy)propanamide
CID 23512799
4-[2-(4-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66439098
5-(3-chlorophenoxy)pentan-2-one
CID 62030286
3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride
CID 101056667

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid (CID 66437353) is 4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid is O=C(O)c1cc(OCCOc2cccc(Cl)c2)cs1.
What is the InChIKey of 4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid?
The InChIKey is KIWBPNIGJOZELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO4S/c14-9-2-1-3-10(6-9)17-4-5-18-11-7-12(13(15)16)19-8-11/h1-3,6-8H,4-5H2,(H,15,16).
What are the key properties of 4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid?
4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid has a molecular weight of 298.75 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66437353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).