methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate

C14H10O3S2 — CID 135020771

IUPACmethyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate
SMILESCOC(=O)c1cc(-c2cccs2)c2ccsc2c1O
InChIInChI=1S/C14H10O3S2/c1-17-14(16)10-7-9(11-3-2-5-18-11)8-4-6-19-13(8)12(10)15/h2-7,15H,1H3
InChIKeyRGAJPAHFLYBWFV-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.12
Rot. Bonds2

About methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate

methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate (PubChem CID 135020771) has the molecular formula C14H10O3S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate
PubChem CID135020771
Molecular FormulaC14H10O3S2
Molecular Weight290.37 g/mol
Exact Mass290.01
IUPAC Namemethyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate
SMILESCOC(=O)c1cc(-c2cccs2)c2ccsc2c1O
InChIInChI=1S/C14H10O3S2/c1-17-14(16)10-7-9(11-3-2-5-18-11)8-4-6-19-13(8)12(10)15/h2-7,15H,1H3
InChIKeyRGAJPAHFLYBWFV-UHFFFAOYSA-N
XLogP4.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate
CID 11098312
methyl 2-hydroxy-6-thiophen-2-ylbenzoate
CID 15679686
methyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate
CID 175240014
dimethyl 5-thiophen-2-ylbenzene-1,3-dicarboxylate
CID 5323903
methyl 7-chloro-1-benzothiophene-4-carboxylate
CID 130063077
methyl 2-thiophen-2-ylquinoline-3-carboxylate
CID 132558070
dimethyl 3,4-dithiophen-2-yl-1H-pyrrole-2,5-dicarboxylate
CID 102258239
methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate
CID 139645960
4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde
CID 16768660
methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate
CID 164676976
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
dimethyl 4-hydroxy-7-phenyl-1-benzothiophene-5,6-dicarboxylate
CID 10065966

Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate?
The IUPAC name of methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate (CID 135020771) is methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate?
The canonical SMILES for methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate is COC(=O)c1cc(-c2cccs2)c2ccsc2c1O.
What is the InChIKey of methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate?
The InChIKey is RGAJPAHFLYBWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S2/c1-17-14(16)10-7-9(11-3-2-5-18-11)8-4-6-19-13(8)12(10)15/h2-7,15H,1H3.
What are the key properties of methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate?
methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate has a molecular weight of 290.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate is sourced from PubChem (CID 135020771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).