(E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid

C13H9ClO2S — CID 43244503

IUPAC(E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccccc1Cl)c1cccs1
InChIInChI=1S/C13H9ClO2S/c14-11-5-2-1-4-9(11)8-10(13(15)16)12-6-3-7-17-12/h1-8H,(H,15,16)/b10-8-
InChIKeyQXWZJSXPMUYWBW-NTMALXAHSA-N
MW264.73 g/mol
LogP4.03
Rot. Bonds3

About (E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid

(E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid (PubChem CID 43244503) has the molecular formula C13H9ClO2S and a molecular weight of 264.73 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
PubChem CID43244503
Molecular FormulaC13H9ClO2S
Molecular Weight264.73 g/mol
Exact Mass264.00
IUPAC Name(E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccccc1Cl)c1cccs1
InChIInChI=1S/C13H9ClO2S/c14-11-5-2-1-4-9(11)8-10(13(15)16)12-6-3-7-17-12/h1-8H,(H,15,16)/b10-8-
InChIKeyQXWZJSXPMUYWBW-NTMALXAHSA-N
XLogP4.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 2361301
(E)-3-(2-chloro-5-nitrophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 43352781
(E)-3-(3,5-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 60789884
3-(4-chloro-3-fluorophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 76916085
(E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid
CID 43343993
(E)-3-(2,3,4,5,6-pentafluorophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 43169990
(E)-3-[5-chloro-2-(2-phenylethoxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid
CID 20987899
(Z)-3-(2-chlorophenyl)-2-sulfanylprop-2-enoic acid
CID 708632
(E)-3-(2-chlorophenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid
CID 2421365
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 20994247
(E)-3-(4,5-dimethoxy-2-nitrophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 112720405
3-chloro-2-phenyl-3-thiophen-2-ylprop-2-enal
CID 142762455

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid?
The IUPAC name of (E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid (CID 43244503) is (E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid?
The canonical SMILES for (E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid is O=C(O)/C(=C\c1ccccc1Cl)c1cccs1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid?
The InChIKey is QXWZJSXPMUYWBW-NTMALXAHSA-N. The full InChI is InChI=1S/C13H9ClO2S/c14-11-5-2-1-4-9(11)8-10(13(15)16)12-6-3-7-17-12/h1-8H,(H,15,16)/b10-8-.
What are the key properties of (E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid?
(E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid has a molecular weight of 264.73 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid is sourced from PubChem (CID 43244503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).