methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate

C13H12O4S — CID 82884899

IUPACmethyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)c2occc2C)s1
InChIInChI=1S/C13H12O4S/c1-8-5-6-17-13(8)12(15)10-4-3-9(18-10)7-11(14)16-2/h3-6H,7H2,1-2H3
InChIKeyKDVNYVJNXNIHNU-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.60
Rot. Bonds4

About methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate

methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate (PubChem CID 82884899) has the molecular formula C13H12O4S and a molecular weight of 264.30 g/mol. Its IUPAC name is methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate
PubChem CID82884899
Molecular FormulaC13H12O4S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Namemethyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)c2occc2C)s1
InChIInChI=1S/C13H12O4S/c1-8-5-6-17-13(8)12(15)10-4-3-9(18-10)7-11(14)16-2/h3-6H,7H2,1-2H3
InChIKeyKDVNYVJNXNIHNU-UHFFFAOYSA-N
XLogP2.60
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate
CID 82884808
methyl 2-[5-(2-bromo-3-methylbenzoyl)thiophen-2-yl]acetate
CID 107981742
methyl 2-(5-butanoylthiophen-2-yl)acetate
CID 13224044
methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate
CID 82885826
methyl 2-[5-(2-iodobenzoyl)thiophen-2-yl]acetate
CID 82885233
methyl 2-[5-(4-propan-2-ylbenzoyl)thiophen-2-yl]acetate
CID 82886030
methyl 2-[5-(2-bromo-4-methylbenzoyl)thiophen-2-yl]acetate
CID 82894244
methyl 2-[5-(2-chloro-4-methylbenzoyl)thiophen-2-yl]acetate
CID 106860860
methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate
CID 82885335
methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate
CID 82884896
methyl 2-[5-[2-(3,4-dimethylphenyl)acetyl]thiophen-2-yl]acetate
CID 82886040
methyl 2-[5-(3-bromo-5-chlorobenzoyl)thiophen-2-yl]acetate
CID 107950021

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate (CID 82884899) is methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate is COC(=O)Cc1ccc(C(=O)c2occc2C)s1.
What is the InChIKey of methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate?
The InChIKey is KDVNYVJNXNIHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4S/c1-8-5-6-17-13(8)12(15)10-4-3-9(18-10)7-11(14)16-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate?
methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate has a molecular weight of 264.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate is sourced from PubChem (CID 82884899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).