ethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate

C15H14O3S — CID 72946219

IUPACethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1C(=O)c1ccsc1
InChIInChI=1S/C15H14O3S/c1-2-18-14(16)9-11-5-3-4-6-13(11)15(17)12-7-8-19-10-12/h3-8,10H,2,9H2,1H3
InChIKeyMCPOLRVXJARLJP-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.08
Rot. Bonds5

About ethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate

ethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate (PubChem CID 72946219) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is ethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate
PubChem CID72946219
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Nameethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1C(=O)c1ccsc1
InChIInChI=1S/C15H14O3S/c1-2-18-14(16)9-11-5-3-4-6-13(11)15(17)12-7-8-19-10-12/h3-8,10H,2,9H2,1H3
InChIKeyMCPOLRVXJARLJP-UHFFFAOYSA-N
XLogP3.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzylphenyl)-thiophen-3-ylmethanone
CID 125474100
2-(2-ethoxy-2-oxoethyl)benzoic acid
CID 11367771
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-[2-(chloromethyl)phenyl]acetate
CID 13386156
(2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone
CID 114975244
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
ethyl 2-thiophen-3-ylprop-2-enoate
CID 89199275
2-amino-3-(thiophene-3-carbonyl)benzoic acid
CID 70497856
ethyl 2-[(2-carbamoylphenyl)methylamino]acetate
CID 60812400
ethyl 2-[2-(2-methylpropyl)phenyl]acetate
CID 105476130
ethyl 2-[2-(2-bromoethyl)phenyl]acetate
CID 174487319

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate?
The IUPAC name of ethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate (CID 72946219) is ethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate is CCOC(=O)Cc1ccccc1C(=O)c1ccsc1.
What is the InChIKey of ethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate?
The InChIKey is MCPOLRVXJARLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-2-18-14(16)9-11-5-3-4-6-13(11)15(17)12-7-8-19-10-12/h3-8,10H,2,9H2,1H3.
What are the key properties of ethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate?
ethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate has a molecular weight of 274.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate is sourced from PubChem (CID 72946219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).