methyl 6-methoxy-1-benzothiophene-2-carboxylate

C11H10O3S — CID 53486111

IUPACmethyl 6-methoxy-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1cc2ccc(OC)cc2s1
InChIInChI=1S/C11H10O3S/c1-13-8-4-3-7-5-10(11(12)14-2)15-9(7)6-8/h3-6H,1-2H3
InChIKeyVMGJIYVZMYUFSI-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.70
Rot. Bonds2

About methyl 6-methoxy-1-benzothiophene-2-carboxylate

methyl 6-methoxy-1-benzothiophene-2-carboxylate (PubChem CID 53486111) has the molecular formula C11H10O3S and a molecular weight of 222.26 g/mol. Its IUPAC name is methyl 6-methoxy-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-1-benzothiophene-2-carboxylate
PubChem CID53486111
Molecular FormulaC11H10O3S
Molecular Weight222.26 g/mol
Exact Mass222.04
IUPAC Namemethyl 6-methoxy-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1cc2ccc(OC)cc2s1
InChIInChI=1S/C11H10O3S/c1-13-8-4-3-7-5-10(11(12)14-2)15-9(7)6-8/h3-6H,1-2H3
InChIKeyVMGJIYVZMYUFSI-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-methoxy-1-benzothiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoic acid
CID 134391948
Tibenelast
CID 59913
4-(5,6-Dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid
CID 23035251
Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate
CID 83165
Methyl benzo(b)thiophene-2-carboxylate
CID 2800344
2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic Acid
CID 3509505
2-(4-Methoxyphenyl)-3-(4-methoxybenzoyl)benzothiophene
CID 10667130
2,2,2-Trifluoro-1-[5-(4-methoxyphenyl)-2-thienyl]ethanone
CID 44543407
2-Ethyl-3-(4-methoxybenzoyl)benzo[b]-thiophene
CID 129781980
Ethyl 3-methyl-6-phenoxy-1-benzothiophene-2-carboxylate
CID 132022548
Ethyl 6-methoxybenzo[b]thiophene-2-carboxylate
CID 11831419
(E)-3-(1-benzothiophen-3-yl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 118732209

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-1-benzothiophene-2-carboxylate?
The IUPAC name of methyl 6-methoxy-1-benzothiophene-2-carboxylate (CID 53486111) is methyl 6-methoxy-1-benzothiophene-2-carboxylate.
What is the SMILES notation for methyl 6-methoxy-1-benzothiophene-2-carboxylate?
The canonical SMILES for methyl 6-methoxy-1-benzothiophene-2-carboxylate is COC(=O)c1cc2ccc(OC)cc2s1.
What is the InChIKey of methyl 6-methoxy-1-benzothiophene-2-carboxylate?
The InChIKey is VMGJIYVZMYUFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c1-13-8-4-3-7-5-10(11(12)14-2)15-9(7)6-8/h3-6H,1-2H3.
What are the key properties of methyl 6-methoxy-1-benzothiophene-2-carboxylate?
methyl 6-methoxy-1-benzothiophene-2-carboxylate has a molecular weight of 222.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 53486111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).