2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid

C15H18O3S — CID 114911247

IUPAC2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid
SMILESCCCC(O)(C(=O)O)C(C)c1cc2ccccc2s1
InChIInChI=1S/C15H18O3S/c1-3-8-15(18,14(16)17)10(2)13-9-11-6-4-5-7-12(11)19-13/h4-7,9-10,18H,3,8H2,1-2H3,(H,16,17)
InChIKeyWYQVFBOGCARPHA-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.62
Rot. Bonds5

About 2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid

2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid (PubChem CID 114911247) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid.

Molecular Properties

Compound Name2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid
PubChem CID114911247
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid
SMILESCCCC(O)(C(=O)O)C(C)c1cc2ccccc2s1
InChIInChI=1S/C15H18O3S/c1-3-8-15(18,14(16)17)10(2)13-9-11-6-4-5-7-12(11)19-13/h4-7,9-10,18H,3,8H2,1-2H3,(H,16,17)
InChIKeyWYQVFBOGCARPHA-UHFFFAOYSA-N
XLogP3.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid?
The IUPAC name of 2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid (CID 114911247) is 2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid.
What is the SMILES notation for 2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid?
The canonical SMILES for 2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid is CCCC(O)(C(=O)O)C(C)c1cc2ccccc2s1.
What is the InChIKey of 2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid?
The InChIKey is WYQVFBOGCARPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3S/c1-3-8-15(18,14(16)17)10(2)13-9-11-6-4-5-7-12(11)19-13/h4-7,9-10,18H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid?
2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid has a molecular weight of 278.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzothiophen-2-yl)ethyl]-2-hydroxypentanoic acid is sourced from PubChem (CID 114911247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).