methyl 2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

C15H18O3S — CID 70813710

IUPACmethyl 2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCOC(=O)C(OC(C)(C)C)c1csc2ccccc12
InChIInChI=1S/C15H18O3S/c1-15(2,3)18-13(14(16)17-4)11-9-19-12-8-6-5-7-10(11)12/h5-9,13H,1-4H3
InChIKeyDGRQEPVFICQXLJ-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.93
Rot. Bonds3

About methyl 2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

methyl 2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 70813710) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is methyl 2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID70813710
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Namemethyl 2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCOC(=O)C(OC(C)(C)C)c1csc2ccccc12
InChIInChI=1S/C15H18O3S/c1-15(2,3)18-13(14(16)17-4)11-9-19-12-8-6-5-7-10(11)12/h5-9,13H,1-4H3
InChIKeyDGRQEPVFICQXLJ-UHFFFAOYSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of methyl 2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate (CID 70813710) is methyl 2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for methyl 2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for methyl 2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate is COC(=O)C(OC(C)(C)C)c1csc2ccccc12.
What is the InChIKey of methyl 2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is DGRQEPVFICQXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3S/c1-15(2,3)18-13(14(16)17-4)11-9-19-12-8-6-5-7-10(11)12/h5-9,13H,1-4H3.
What are the key properties of methyl 2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
methyl 2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 278.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 70813710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).