2-[(E)-2-thiophen-2-ylethenyl]benzoic acid

C13H10O2S — CID 738852

IUPAC2-[(E)-2-thiophen-2-ylethenyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=C/c1cccs1
InChIInChI=1S/C13H10O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-9H,(H,14,15)/b8-7+
InChIKeyISSJZCAENPGUEW-BQYQJAHWSA-N
MW230.29 g/mol
LogP3.62
Rot. Bonds3

About 2-[(E)-2-thiophen-2-ylethenyl]benzoic acid

2-[(E)-2-thiophen-2-ylethenyl]benzoic acid (PubChem CID 738852) has the molecular formula C13H10O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-[(E)-2-thiophen-2-ylethenyl]benzoic acid.

Molecular Properties

Compound Name2-[(E)-2-thiophen-2-ylethenyl]benzoic acid
PubChem CID738852
Molecular FormulaC13H10O2S
Molecular Weight230.29 g/mol
Exact Mass230.04
IUPAC Name2-[(E)-2-thiophen-2-ylethenyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=C/c1cccs1
InChIInChI=1S/C13H10O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-9H,(H,14,15)/b8-7+
InChIKeyISSJZCAENPGUEW-BQYQJAHWSA-N
XLogP3.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-thiophen-2-ylethenyl]benzoic acid?
The IUPAC name of 2-[(E)-2-thiophen-2-ylethenyl]benzoic acid (CID 738852) is 2-[(E)-2-thiophen-2-ylethenyl]benzoic acid.
What is the SMILES notation for 2-[(E)-2-thiophen-2-ylethenyl]benzoic acid?
The canonical SMILES for 2-[(E)-2-thiophen-2-ylethenyl]benzoic acid is O=C(O)c1ccccc1/C=C/c1cccs1.
What is the InChIKey of 2-[(E)-2-thiophen-2-ylethenyl]benzoic acid?
The InChIKey is ISSJZCAENPGUEW-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H10O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-9H,(H,14,15)/b8-7+.
What are the key properties of 2-[(E)-2-thiophen-2-ylethenyl]benzoic acid?
2-[(E)-2-thiophen-2-ylethenyl]benzoic acid has a molecular weight of 230.29 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-thiophen-2-ylethenyl]benzoic acid is sourced from PubChem (CID 738852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).