3-(2,2-diphenyl-3H-thiophen-3-yl)propanoic acid

C19H18O2S — CID 154289000

IUPAC3-(2,2-diphenyl-3H-thiophen-3-yl)propanoic acid
SMILESO=C(O)CCC1C=CSC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O2S/c20-18(21)12-11-17-13-14-22-19(17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,17H,11-12H2,(H,20,21)
InChIKeyLAGSDRISDPUOBJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.67
Rot. Bonds5

About 3-(2,2-diphenyl-3H-thiophen-3-yl)propanoic acid

3-(2,2-diphenyl-3H-thiophen-3-yl)propanoic acid (PubChem CID 154289000) has the molecular formula C19H18O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-(2,2-diphenyl-3H-thiophen-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,2-diphenyl-3H-thiophen-3-yl)propanoic acid
PubChem CID154289000
Molecular FormulaC19H18O2S
Molecular Weight310.42 g/mol
Exact Mass310.10
IUPAC Name3-(2,2-diphenyl-3H-thiophen-3-yl)propanoic acid
SMILESO=C(O)CCC1C=CSC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O2S/c20-18(21)12-11-17-13-14-22-19(17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,17H,11-12H2,(H,20,21)
InChIKeyLAGSDRISDPUOBJ-UHFFFAOYSA-N
XLogP4.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24770514
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Benzenepropanoic acid, alpha-(phenylmethyl)-
CID 64800
5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid
CID 24371
2,2'-Sulfanediylbis(phenylacetic acid)
CID 269264
2,3-Diphenyl-2-cyclopropene-1-carboxylic acid
CID 347383
2-Benzyl-3-mercaptopropanoic acid
CID 194327
2-(3''-Ethylsulfanyl-biphenyl-4-yl)-propionic acid
CID 9817355
2,2-Diphenyl-4-mercapto-butyric acid
CID 52416
5H-Dibenzo(A,D)cyclohepten-5-ylacetic acid
CID 3830563
2-Benzyl-5-sulfanylpentanoic acid
CID 9920926

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diphenyl-3H-thiophen-3-yl)propanoic acid?
The IUPAC name of 3-(2,2-diphenyl-3H-thiophen-3-yl)propanoic acid (CID 154289000) is 3-(2,2-diphenyl-3H-thiophen-3-yl)propanoic acid.
What is the SMILES notation for 3-(2,2-diphenyl-3H-thiophen-3-yl)propanoic acid?
The canonical SMILES for 3-(2,2-diphenyl-3H-thiophen-3-yl)propanoic acid is O=C(O)CCC1C=CSC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2,2-diphenyl-3H-thiophen-3-yl)propanoic acid?
The InChIKey is LAGSDRISDPUOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2S/c20-18(21)12-11-17-13-14-22-19(17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,17H,11-12H2,(H,20,21).
What are the key properties of 3-(2,2-diphenyl-3H-thiophen-3-yl)propanoic acid?
3-(2,2-diphenyl-3H-thiophen-3-yl)propanoic acid has a molecular weight of 310.42 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diphenyl-3H-thiophen-3-yl)propanoic acid is sourced from PubChem (CID 154289000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).