[2-(3-chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate

C14H11ClO3S — CID 2357769

IUPAC[2-(3-chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C14H11ClO3S/c1-9-5-6-13(19-9)14(17)18-8-12(16)10-3-2-4-11(15)7-10/h2-7H,8H2,1H3
InChIKeyOVWOBPDMHKPQDH-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.75
Rot. Bonds4

About [2-(3-chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate

[2-(3-chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate (PubChem CID 2357769) has the molecular formula C14H11ClO3S and a molecular weight of 294.76 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
PubChem CID2357769
Molecular FormulaC14H11ClO3S
Molecular Weight294.76 g/mol
Exact Mass294.01
IUPAC Name[2-(3-chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C14H11ClO3S/c1-9-5-6-13(19-9)14(17)18-8-12(16)10-3-2-4-11(15)7-10/h2-7H,8H2,1H3
InChIKeyOVWOBPDMHKPQDH-UHFFFAOYSA-N
XLogP3.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-(3-chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate (CID 2357769) is [2-(3-chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(3-chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(3-chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCC(=O)c2cccc(Cl)c2)s1.
What is the InChIKey of [2-(3-chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is OVWOBPDMHKPQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3S/c1-9-5-6-13(19-9)14(17)18-8-12(16)10-3-2-4-11(15)7-10/h2-7H,8H2,1H3.
What are the key properties of [2-(3-chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
[2-(3-chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 294.76 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 2357769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).