2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid

C15H16O2S — CID 83951542

IUPAC2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid
SMILESCc1ccc(C)c(C(Cc2cccs2)C(=O)O)c1
InChIInChI=1S/C15H16O2S/c1-10-5-6-11(2)13(8-10)14(15(16)17)9-12-4-3-7-18-12/h3-8,14H,9H2,1-2H3,(H,16,17)
InChIKeyOBCXMSFGFPJLQS-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.78
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid

2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid (PubChem CID 83951542) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid
PubChem CID83951542
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid
SMILESCc1ccc(C)c(C(Cc2cccs2)C(=O)O)c1
InChIInChI=1S/C15H16O2S/c1-10-5-6-11(2)13(8-10)14(15(16)17)9-12-4-3-7-18-12/h3-8,14H,9H2,1-2H3,(H,16,17)
InChIKeyOBCXMSFGFPJLQS-UHFFFAOYSA-N
XLogP3.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
CID 82139245
1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099
2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 82139843
3-(4-chlorophenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82139348
N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63416075
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82140292
N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 6468570
2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 83952174
2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene
CID 63542068
2-(2,5-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 83954964
3-amino-N-(2,5-dimethylphenyl)-3-hydroxyimino-2-(thiophen-2-ylmethyl)propanamide
CID 3171661
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid (CID 83951542) is 2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid is Cc1ccc(C)c(C(Cc2cccs2)C(=O)O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid?
The InChIKey is OBCXMSFGFPJLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-10-5-6-11(2)13(8-10)14(15(16)17)9-12-4-3-7-18-12/h3-8,14H,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid?
2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid has a molecular weight of 260.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 83951542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).