3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid

C13H10Cl2O2S — CID 83954863

IUPAC3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(Cc1cccc(Cl)c1Cl)c1cccs1
InChIInChI=1S/C13H10Cl2O2S/c14-10-4-1-3-8(12(10)15)7-9(13(16)17)11-5-2-6-18-11/h1-6,9H,7H2,(H,16,17)
InChIKeyQBEIJYQCKKFDBA-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.47
Rot. Bonds4

About 3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid

3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid (PubChem CID 83954863) has the molecular formula C13H10Cl2O2S and a molecular weight of 301.19 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid
PubChem CID83954863
Molecular FormulaC13H10Cl2O2S
Molecular Weight301.19 g/mol
Exact Mass299.98
IUPAC Name3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(Cc1cccc(Cl)c1Cl)c1cccs1
InChIInChI=1S/C13H10Cl2O2S/c14-10-4-1-3-8(12(10)15)7-9(13(16)17)11-5-2-6-18-11/h1-6,9H,7H2,(H,16,17)
InChIKeyQBEIJYQCKKFDBA-UHFFFAOYSA-N
XLogP4.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-3-(2,3-dichlorophenyl)propanoic acid
CID 107307183
3-(2,3-dichlorophenyl)-2-(dimethylamino)propanoic acid
CID 82133187
(2S)-3-(2,3-dichlorophenyl)-2-(dimethylamino)propanoic acid
CID 94693271
3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 20988831
2-thiophen-2-ylbutanoic acid;hydrochloride
CID 141021688
5-chloro-2-thiophen-2-ylpentanoic acid
CID 11160300
3-(2-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 83954608
3-(3-chloro-4-propan-2-yloxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 83953051
3-[2-[2-(dimethylamino)ethoxy]phenyl]-2-thiophen-2-ylpropanoic acid
CID 20994023
3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22687405
N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182757
3-bromo-4-(2,3-dichlorophenyl)butan-2-one
CID 62394098

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid (CID 83954863) is 3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid is O=C(O)C(Cc1cccc(Cl)c1Cl)c1cccs1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid?
The InChIKey is QBEIJYQCKKFDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2S/c14-10-4-1-3-8(12(10)15)7-9(13(16)17)11-5-2-6-18-11/h1-6,9H,7H2,(H,16,17).
What are the key properties of 3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid?
3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid has a molecular weight of 301.19 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 83954863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).