ethyl 2-(thiophen-2-ylmethoxy)acetate

C9H12O3S — CID 60730801

IUPACethyl 2-(thiophen-2-ylmethoxy)acetate
SMILESCCOC(=O)COCc1cccs1
InChIInChI=1S/C9H12O3S/c1-2-12-9(10)7-11-6-8-4-3-5-13-8/h3-5H,2,6-7H2,1H3
InChIKeyPLJPBSKSGNSEQG-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.83
Rot. Bonds5

About ethyl 2-(thiophen-2-ylmethoxy)acetate

ethyl 2-(thiophen-2-ylmethoxy)acetate (PubChem CID 60730801) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is ethyl 2-(thiophen-2-ylmethoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(thiophen-2-ylmethoxy)acetate
PubChem CID60730801
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Nameethyl 2-(thiophen-2-ylmethoxy)acetate
SMILESCCOC(=O)COCc1cccs1
InChIInChI=1S/C9H12O3S/c1-2-12-9(10)7-11-6-8-4-3-5-13-8/h3-5H,2,6-7H2,1H3
InChIKeyPLJPBSKSGNSEQG-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethoxymethyl)thiophene
CID 12699283
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741
3,3-dimethyl-1-(thiophen-2-ylmethoxy)butan-2-one
CID 62034187
ethyl acetate;2-(methoxymethyl)thiophene
CID 174707277
ethyl 2-(thionin-2-yl)acetate
CID 174897632
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
ethyl acetate;thiophen-2-ylmethanol
CID 160876049
ethyl 4-thiophen-2-ylbut-3-ynoate
CID 170470618
ethyl (2R)-2-hydroxy-3-oxo-4-thiophen-2-ylbutanoate
CID 100936986
ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate
CID 62027701
thiophen-2-ylmethyl 3-amino-3-methylbutanoate
CID 64701985
ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
CID 43445634

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(thiophen-2-ylmethoxy)acetate?
The IUPAC name of ethyl 2-(thiophen-2-ylmethoxy)acetate (CID 60730801) is ethyl 2-(thiophen-2-ylmethoxy)acetate.
What is the SMILES notation for ethyl 2-(thiophen-2-ylmethoxy)acetate?
The canonical SMILES for ethyl 2-(thiophen-2-ylmethoxy)acetate is CCOC(=O)COCc1cccs1.
What is the InChIKey of ethyl 2-(thiophen-2-ylmethoxy)acetate?
The InChIKey is PLJPBSKSGNSEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-2-12-9(10)7-11-6-8-4-3-5-13-8/h3-5H,2,6-7H2,1H3.
What are the key properties of ethyl 2-(thiophen-2-ylmethoxy)acetate?
ethyl 2-(thiophen-2-ylmethoxy)acetate has a molecular weight of 200.26 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(thiophen-2-ylmethoxy)acetate is sourced from PubChem (CID 60730801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).