thiophen-2-ylmethyl benzoate

C12H10O2S — CID 3020751

IUPACthiophen-2-ylmethyl benzoate
SMILESO=C(OCc1cccs1)c1ccccc1
InChIInChI=1S/C12H10O2S/c13-12(10-5-2-1-3-6-10)14-9-11-7-4-8-15-11/h1-8H,9H2
InChIKeyQFKZQXHPVSHDMJ-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.11
Rot. Bonds3

About thiophen-2-ylmethyl benzoate

thiophen-2-ylmethyl benzoate (PubChem CID 3020751) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is thiophen-2-ylmethyl benzoate.

Molecular Properties

Compound Namethiophen-2-ylmethyl benzoate
PubChem CID3020751
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Namethiophen-2-ylmethyl benzoate
SMILESO=C(OCc1cccs1)c1ccccc1
InChIInChI=1S/C12H10O2S/c13-12(10-5-2-1-3-6-10)14-9-11-7-4-8-15-11/h1-8H,9H2
InChIKeyQFKZQXHPVSHDMJ-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl benzoate?
The IUPAC name of thiophen-2-ylmethyl benzoate (CID 3020751) is thiophen-2-ylmethyl benzoate.
What is the SMILES notation for thiophen-2-ylmethyl benzoate?
The canonical SMILES for thiophen-2-ylmethyl benzoate is O=C(OCc1cccs1)c1ccccc1.
What is the InChIKey of thiophen-2-ylmethyl benzoate?
The InChIKey is QFKZQXHPVSHDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c13-12(10-5-2-1-3-6-10)14-9-11-7-4-8-15-11/h1-8H,9H2.
What are the key properties of thiophen-2-ylmethyl benzoate?
thiophen-2-ylmethyl benzoate has a molecular weight of 218.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl benzoate is sourced from PubChem (CID 3020751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).