methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate

C16H14O4S — CID 82886046

IUPACmethyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)C2COc3ccccc32)s1
InChIInChI=1S/C16H14O4S/c1-19-15(17)8-10-6-7-14(21-10)16(18)12-9-20-13-5-3-2-4-11(12)13/h2-7,12H,8-9H2,1H3
InChIKeyKSPKHTOKKNJUFT-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.82
Rot. Bonds4

About methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate

methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate (PubChem CID 82886046) has the molecular formula C16H14O4S and a molecular weight of 302.35 g/mol. Its IUPAC name is methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate
PubChem CID82886046
Molecular FormulaC16H14O4S
Molecular Weight302.35 g/mol
Exact Mass302.06
IUPAC Namemethyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)C2COc3ccccc32)s1
InChIInChI=1S/C16H14O4S/c1-19-15(17)8-10-6-7-14(21-10)16(18)12-9-20-13-5-3-2-4-11(12)13/h2-7,12H,8-9H2,1H3
InChIKeyKSPKHTOKKNJUFT-UHFFFAOYSA-N
XLogP2.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
methyl 2-[5-(2,2-dimethylcyclopropanecarbonyl)thiophen-2-yl]acetate
CID 107000815
methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate
CID 114824847
2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone
CID 81118525
2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone
CID 43338852
methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate
CID 82885819
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
methyl 2-bromo-3-(2,3-dihydro-1-benzofuran-3-carbonylamino)propanoate
CID 103492669
2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114642156
methyl 2-[5-(2-iodobenzoyl)thiophen-2-yl]acetate
CID 82885233
1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 65407954
methyl 2-(5-butanoylthiophen-2-yl)acetate
CID 13224044

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate (CID 82886046) is methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate is COC(=O)Cc1ccc(C(=O)C2COc3ccccc32)s1.
What is the InChIKey of methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate?
The InChIKey is KSPKHTOKKNJUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4S/c1-19-15(17)8-10-6-7-14(21-10)16(18)12-9-20-13-5-3-2-4-11(12)13/h2-7,12H,8-9H2,1H3.
What are the key properties of methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate?
methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate has a molecular weight of 302.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate is sourced from PubChem (CID 82886046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).