4-(4-phenylthiophen-2-yl)butanoic acid

C14H14O2S — CID 165409992

IUPAC4-(4-phenylthiophen-2-yl)butanoic acid
SMILESO=C(O)CCCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C14H14O2S/c15-14(16)8-4-7-13-9-12(10-17-13)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,15,16)
InChIKeyDLJAACUFOFYPOZ-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.82
Rot. Bonds5

About 4-(4-phenylthiophen-2-yl)butanoic acid

4-(4-phenylthiophen-2-yl)butanoic acid (PubChem CID 165409992) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-(4-phenylthiophen-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-phenylthiophen-2-yl)butanoic acid
PubChem CID165409992
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name4-(4-phenylthiophen-2-yl)butanoic acid
SMILESO=C(O)CCCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C14H14O2S/c15-14(16)8-4-7-13-9-12(10-17-13)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,15,16)
InChIKeyDLJAACUFOFYPOZ-UHFFFAOYSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylthiophen-2-yl)butanoic acid?
The IUPAC name of 4-(4-phenylthiophen-2-yl)butanoic acid (CID 165409992) is 4-(4-phenylthiophen-2-yl)butanoic acid.
What is the SMILES notation for 4-(4-phenylthiophen-2-yl)butanoic acid?
The canonical SMILES for 4-(4-phenylthiophen-2-yl)butanoic acid is O=C(O)CCCc1cc(-c2ccccc2)cs1.
What is the InChIKey of 4-(4-phenylthiophen-2-yl)butanoic acid?
The InChIKey is DLJAACUFOFYPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c15-14(16)8-4-7-13-9-12(10-17-13)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,15,16).
What are the key properties of 4-(4-phenylthiophen-2-yl)butanoic acid?
4-(4-phenylthiophen-2-yl)butanoic acid has a molecular weight of 246.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylthiophen-2-yl)butanoic acid is sourced from PubChem (CID 165409992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).