methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate

C10H12O4S — CID 100929989

IUPACmethyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate
SMILESCOC(=O)Cc1cscc1CC(=O)OC
InChIInChI=1S/C10H12O4S/c1-13-9(11)3-7-5-15-6-8(7)4-10(12)14-2/h5-6H,3-4H2,1-2H3
InChIKeyNZPFVTLXQSLOHW-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.18
Rot. Bonds4

About methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate

methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate (PubChem CID 100929989) has the molecular formula C10H12O4S and a molecular weight of 228.27 g/mol. Its IUPAC name is methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate
PubChem CID100929989
Molecular FormulaC10H12O4S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Namemethyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate
SMILESCOC(=O)Cc1cscc1CC(=O)OC
InChIInChI=1S/C10H12O4S/c1-13-9(11)3-7-5-15-6-8(7)4-10(12)14-2/h5-6H,3-4H2,1-2H3
InChIKeyNZPFVTLXQSLOHW-UHFFFAOYSA-N
XLogP1.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-bromothiophen-3-yl)acetate
CID 130739135
4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid
CID 14326173
methyl 2-[2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]phenyl]propanoate
CID 175118976
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355
methyl 2-(2-aminofuran-3-yl)acetate
CID 57017182
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
methyl 2-(5-methylthiophen-3-yl)acetate
CID 70418806
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
methyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate
CID 146300530
methyl 2-(4-chloro-6-hydroxy-1-benzothiophen-3-yl)acetate
CID 20770824
methyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 84657776
methyl 2-(5-fluorothiophen-3-yl)acetate
CID 130787023

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate?
The IUPAC name of methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate (CID 100929989) is methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate is COC(=O)Cc1cscc1CC(=O)OC.
What is the InChIKey of methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate?
The InChIKey is NZPFVTLXQSLOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S/c1-13-9(11)3-7-5-15-6-8(7)4-10(12)14-2/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate?
methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate has a molecular weight of 228.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate is sourced from PubChem (CID 100929989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).