methyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate

C14H11ClO2S — CID 2740550

IUPACmethyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C=Cc2cccc(Cl)c2)s1
InChIInChI=1S/C14H11ClO2S/c1-17-14(16)13-8-7-12(18-13)6-5-10-3-2-4-11(15)9-10/h2-9H,1H3
InChIKeyOHKQYIUJYGVBJR-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.36
Rot. Bonds3

About methyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate

methyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate (PubChem CID 2740550) has the molecular formula C14H11ClO2S and a molecular weight of 278.76 g/mol. Its IUPAC name is methyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate
PubChem CID2740550
Molecular FormulaC14H11ClO2S
Molecular Weight278.76 g/mol
Exact Mass278.02
IUPAC Namemethyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C=Cc2cccc(Cl)c2)s1
InChIInChI=1S/C14H11ClO2S/c1-17-14(16)13-8-7-12(18-13)6-5-10-3-2-4-11(15)9-10/h2-9H,1H3
InChIKeyOHKQYIUJYGVBJR-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-chlorobenzo[b]thiophene-2-carboxylate
CID 607073
Methyl 4-[(4-chlorophenyl)sulfonyl]-3-methylthiophene-2-carboxylate
CID 2778437
Methyl 5-p-tolylthiophene-2-carboxylate
CID 2760113
5-(3,5-Dichlorophenyl)thiophene-2-carboxylic acid
CID 43363555
Ethyl 2-chloro-4-methyl-5-phenylthiophene-3-carboxylate
CID 44817558
Ethyl 4-Chloro-1-benzothiophene-2-carboxylate
CID 45104233
2-Thienylmethyl benzoate
CID 3020751
Methyl 4-[(4-chlorophenyl)thio]thiophene-3-carboxylate
CID 2778937
Methyl 5-phenylthiophene-2-carboxylate
CID 2741515
Ethyl 5-chloro-4-methylthiophene-2-carboxylate
CID 12605958
5-(3-Chlorophenyl)thiophene-2-carboxylic acid
CID 20099605
5-(3-Chlorophenyl)-4-methylthiophene-2-carboxylic acid
CID 28941890

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate (CID 2740550) is methyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate is COC(=O)c1ccc(C=Cc2cccc(Cl)c2)s1.
What is the InChIKey of methyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate?
The InChIKey is OHKQYIUJYGVBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2S/c1-17-14(16)13-8-7-12(18-13)6-5-10-3-2-4-11(15)9-10/h2-9H,1H3.
What are the key properties of methyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate?
methyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate has a molecular weight of 278.76 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate is sourced from PubChem (CID 2740550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).