methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate

C17H18O3S — CID 82885819

IUPACmethyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)C(C)(C)c2ccccc2)s1
InChIInChI=1S/C17H18O3S/c1-17(2,12-7-5-4-6-8-12)16(19)14-10-9-13(21-14)11-15(18)20-3/h4-10H,11H2,1-3H3
InChIKeyFSQXKYORXMWXPX-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.62
Rot. Bonds5

About methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate

methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate (PubChem CID 82885819) has the molecular formula C17H18O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate
PubChem CID82885819
Molecular FormulaC17H18O3S
Molecular Weight302.40 g/mol
Exact Mass302.10
IUPAC Namemethyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)C(C)(C)c2ccccc2)s1
InChIInChI=1S/C17H18O3S/c1-17(2,12-7-5-4-6-8-12)16(19)14-10-9-13(21-14)11-15(18)20-3/h4-10H,11H2,1-3H3
InChIKeyFSQXKYORXMWXPX-UHFFFAOYSA-N
XLogP3.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-(2-iodobenzoyl)thiophen-2-yl]acetate
CID 82885233
methyl 2-(5-butanoylthiophen-2-yl)acetate
CID 13224044
methyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate
CID 103309446
methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate
CID 82886046
2-[[5-(2-methoxy-2-oxoethyl)thiophen-2-yl]methylamino]benzoic acid
CID 82886705
methyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate
CID 82894975
methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate
CID 82884808
methyl 2-[5-(2,2-dimethylcyclopropanecarbonyl)thiophen-2-yl]acetate
CID 107000815
methyl 2-[5-(2-bromo-3-methylbenzoyl)thiophen-2-yl]acetate
CID 107981742
methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate
CID 82885826
methyl 2-[5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophen-2-yl]acetate
CID 82894896
methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate
CID 82884899

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate (CID 82885819) is methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate is COC(=O)Cc1ccc(C(=O)C(C)(C)c2ccccc2)s1.
What is the InChIKey of methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate?
The InChIKey is FSQXKYORXMWXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3S/c1-17(2,12-7-5-4-6-8-12)16(19)14-10-9-13(21-14)11-15(18)20-3/h4-10H,11H2,1-3H3.
What are the key properties of methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate?
methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate has a molecular weight of 302.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate is sourced from PubChem (CID 82885819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).