(Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid

C13H8Cl2O2S — CID 2361301

IUPAC(Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
SMILESO=C(O)/C(=C/c1cccc(Cl)c1Cl)c1cccs1
InChIInChI=1S/C13H8Cl2O2S/c14-10-4-1-3-8(12(10)15)7-9(13(16)17)11-5-2-6-18-11/h1-7H,(H,16,17)/b9-7+
InChIKeyGULCXWKPNMMIEW-VQHVLOKHSA-N
MW299.18 g/mol
LogP4.68
Rot. Bonds3

About (Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid

(Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid (PubChem CID 2361301) has the molecular formula C13H8Cl2O2S and a molecular weight of 299.18 g/mol. Its IUPAC name is (Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
PubChem CID2361301
Molecular FormulaC13H8Cl2O2S
Molecular Weight299.18 g/mol
Exact Mass297.96
IUPAC Name(Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
SMILESO=C(O)/C(=C/c1cccc(Cl)c1Cl)c1cccs1
InChIInChI=1S/C13H8Cl2O2S/c14-10-4-1-3-8(12(10)15)7-9(13(16)17)11-5-2-6-18-11/h1-7H,(H,16,17)/b9-7+
InChIKeyGULCXWKPNMMIEW-VQHVLOKHSA-N
XLogP4.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.68
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

(E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 43244503
(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-(3-methoxy-2-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 22680708
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 20994247
1,2-dichloro-3-ethenylbenzene;prop-2-enoic acid
CID 174953913
(E)-3-[5-chloro-2-(2-phenylethoxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid
CID 20987899
(E)-3-(1-methylpyrrol-2-yl)-2-thiophen-2-ylprop-2-enoic acid
CID 43350577
(Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 6390190

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid?
The IUPAC name of (Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid (CID 2361301) is (Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid?
The canonical SMILES for (Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid is O=C(O)/C(=C/c1cccc(Cl)c1Cl)c1cccs1.
What is the InChIKey of (Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid?
The InChIKey is GULCXWKPNMMIEW-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H8Cl2O2S/c14-10-4-1-3-8(12(10)15)7-9(13(16)17)11-5-2-6-18-11/h1-7H,(H,16,17)/b9-7+.
What are the key properties of (Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid?
(Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid has a molecular weight of 299.18 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid is sourced from PubChem (CID 2361301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).