benzyl 2-thiophen-3-ylacetate

C13H12O2S — CID 3016572

IUPACbenzyl 2-thiophen-3-ylacetate
SMILESO=C(Cc1ccsc1)OCc1ccccc1
InChIInChI=1S/C13H12O2S/c14-13(8-12-6-7-16-10-12)15-9-11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyAFYCAIBLAZNEIZ-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.03
Rot. Bonds4

About benzyl 2-thiophen-3-ylacetate

benzyl 2-thiophen-3-ylacetate (PubChem CID 3016572) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is benzyl 2-thiophen-3-ylacetate.

Molecular Properties

Compound Namebenzyl 2-thiophen-3-ylacetate
PubChem CID3016572
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Namebenzyl 2-thiophen-3-ylacetate
SMILESO=C(Cc1ccsc1)OCc1ccccc1
InChIInChI=1S/C13H12O2S/c14-13(8-12-6-7-16-10-12)15-9-11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyAFYCAIBLAZNEIZ-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxo-2-phenylethyl thiophene-2-carboxylate
CID 570654
5-Phenyl-3-thiophen-2-ylmethylene-3H-furan-2-one
CID 2251647
Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester
CID 875199
2-(4-Ethylphenyl)-2-oxoethyl 2-thiophenecarboxylate
CID 902762
2-(4-Methylphenyl)-2-oxoethyl 2-thiophenecarboxylate
CID 1218091
3-Thiophen-2-ylmethylene-5-p-tolyl-3H-furan-2-one
CID 5760562
Methyl 5-(tert-butyl)-3-[(phenylthio)methyl]thiophene-2-carboxylate
CID 2739078
2-(2-Thienyl)-4H-3,1-benzoxathiin-4-one
CID 348051
Methyl 5-p-tolylthiophene-2-carboxylate
CID 2760113
Methyl 4-(3-thienyl)benzoate
CID 4130332
Ethyl 3-thiophen-3-ylbenzoate
CID 162662238
2-Thienylmethyl benzoate
CID 3020751

Frequently Asked Questions

What is the IUPAC name of benzyl 2-thiophen-3-ylacetate?
The IUPAC name of benzyl 2-thiophen-3-ylacetate (CID 3016572) is benzyl 2-thiophen-3-ylacetate.
What is the SMILES notation for benzyl 2-thiophen-3-ylacetate?
The canonical SMILES for benzyl 2-thiophen-3-ylacetate is O=C(Cc1ccsc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-thiophen-3-ylacetate?
The InChIKey is AFYCAIBLAZNEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c14-13(8-12-6-7-16-10-12)15-9-11-4-2-1-3-5-11/h1-7,10H,8-9H2.
What are the key properties of benzyl 2-thiophen-3-ylacetate?
benzyl 2-thiophen-3-ylacetate has a molecular weight of 232.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-thiophen-3-ylacetate is sourced from PubChem (CID 3016572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).