(2,6-dichlorophenyl)methyl thiophene-2-carboxylate

C12H8Cl2O2S — CID 925952

IUPAC(2,6-dichlorophenyl)methyl thiophene-2-carboxylate
SMILESO=C(OCc1c(Cl)cccc1Cl)c1cccs1
InChIInChI=1S/C12H8Cl2O2S/c13-9-3-1-4-10(14)8(9)7-16-12(15)11-5-2-6-17-11/h1-6H,7H2
InChIKeyOIUVMOWBUGYYNE-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.41
Rot. Bonds3

About (2,6-dichlorophenyl)methyl thiophene-2-carboxylate

(2,6-dichlorophenyl)methyl thiophene-2-carboxylate (PubChem CID 925952) has the molecular formula C12H8Cl2O2S and a molecular weight of 287.17 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl thiophene-2-carboxylate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl thiophene-2-carboxylate
PubChem CID925952
Molecular FormulaC12H8Cl2O2S
Molecular Weight287.17 g/mol
Exact Mass285.96
IUPAC Name(2,6-dichlorophenyl)methyl thiophene-2-carboxylate
SMILESO=C(OCc1c(Cl)cccc1Cl)c1cccs1
InChIInChI=1S/C12H8Cl2O2S/c13-9-3-1-4-10(14)8(9)7-16-12(15)11-5-2-6-17-11/h1-6H,7H2
InChIKeyOIUVMOWBUGYYNE-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

aminomethyl thiophene-2-carboxylate
CID 142796710
(3-aminophenyl)methyl thiophene-2-carboxylate
CID 175305802
N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide
CID 7600829
(2,6-dichlorophenyl)methyl 2,3,4,5,6-pentafluorobenzoate
CID 91743056
(2-chloro-4-nitrophenyl)methyl thiophene-2-carboxylate
CID 2978048
2-sulfanylethyl thiophene-2-carboxylate
CID 175040305
2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
CID 4126924
(2,6-dichlorophenyl)methyl 4-iodobenzoate
CID 2409698
3-(thiophene-2-carbonyloxy)propanoic acid
CID 138555972
2,3-dichloropropyl thiophene-2-carboxylate
CID 102162681
[(E)-[amino-(2-chlorophenyl)methylidene]amino] thiophene-2-carboxylate
CID 6088369
ethyl 4-[(2,6-dichlorophenyl)methyl-(thiophene-2-carbonyl)amino]benzoate
CID 22780012

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl thiophene-2-carboxylate?
The IUPAC name of (2,6-dichlorophenyl)methyl thiophene-2-carboxylate (CID 925952) is (2,6-dichlorophenyl)methyl thiophene-2-carboxylate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl thiophene-2-carboxylate?
The canonical SMILES for (2,6-dichlorophenyl)methyl thiophene-2-carboxylate is O=C(OCc1c(Cl)cccc1Cl)c1cccs1.
What is the InChIKey of (2,6-dichlorophenyl)methyl thiophene-2-carboxylate?
The InChIKey is OIUVMOWBUGYYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2S/c13-9-3-1-4-10(14)8(9)7-16-12(15)11-5-2-6-17-11/h1-6H,7H2.
What are the key properties of (2,6-dichlorophenyl)methyl thiophene-2-carboxylate?
(2,6-dichlorophenyl)methyl thiophene-2-carboxylate has a molecular weight of 287.17 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl thiophene-2-carboxylate is sourced from PubChem (CID 925952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).