methyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate

C15H18O4S — CID 15131063

IUPACmethyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2ccc(OC)cc2c1OC(C)(C)C
InChIInChI=1S/C15H18O4S/c1-15(2,3)19-12-10-8-9(17-4)6-7-11(10)20-13(12)14(16)18-5/h6-8H,1-5H3
InChIKeyHGAJCFRLCMMOFS-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.87
Rot. Bonds3

About methyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate

methyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate (PubChem CID 15131063) has the molecular formula C15H18O4S and a molecular weight of 294.37 g/mol. Its IUPAC name is methyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate
PubChem CID15131063
Molecular FormulaC15H18O4S
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Namemethyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2ccc(OC)cc2c1OC(C)(C)C
InChIInChI=1S/C15H18O4S/c1-15(2,3)19-12-10-8-9(17-4)6-7-11(10)20-13(12)14(16)18-5/h6-8H,1-5H3
InChIKeyHGAJCFRLCMMOFS-UHFFFAOYSA-N
XLogP3.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 2801561
methyl 5-methoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl-(2-methylpropyl)amino]-1-benzothiophene-2-carboxylate
CID 70119648
methyl 5-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate
CID 25058323
4-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzothiophen-3-yl]-3,3-dimethylbutan-2-one
CID 68947763
3,5-dimethoxy-1-benzothiophen-2-ol
CID 131098457
methyl 3-[(1-amino-3-phenylpropan-2-yl)amino]-5-methoxy-1-benzothiophene-2-carboxylate
CID 10156018
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119607591
5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 119502573
(4-chlorophenyl) 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 19225778
methyl 3-ethoxy-5-[(4-ethoxybenzoyl)amino]-1-benzothiophene-2-carboxylate
CID 46380784
3,5-dimethoxy-1-benzothiophene-2-carbothioamide
CID 139771246
phenyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 19225760

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate?
The IUPAC name of methyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate (CID 15131063) is methyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate.
What is the SMILES notation for methyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate?
The canonical SMILES for methyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate is COC(=O)c1sc2ccc(OC)cc2c1OC(C)(C)C.
What is the InChIKey of methyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate?
The InChIKey is HGAJCFRLCMMOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4S/c1-15(2,3)19-12-10-8-9(17-4)6-7-11(10)20-13(12)14(16)18-5/h6-8H,1-5H3.
What are the key properties of methyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate?
methyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate has a molecular weight of 294.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 15131063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).