1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate

C15H12O3S — CID 55886136

IUPAC1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OCc2csc3ccccc23)o1
InChIInChI=1S/C15H12O3S/c1-10-6-7-13(18-10)15(16)17-8-11-9-19-14-5-3-2-4-12(11)14/h2-7,9H,8H2,1H3
InChIKeyWFNMKYKTZOQWSU-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.16
Rot. Bonds3

About 1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate

1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate (PubChem CID 55886136) has the molecular formula C15H12O3S and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate.

Molecular Properties

Compound Name1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate
PubChem CID55886136
Molecular FormulaC15H12O3S
Molecular Weight272.32 g/mol
Exact Mass272.05
IUPAC Name1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OCc2csc3ccccc23)o1
InChIInChI=1S/C15H12O3S/c1-10-6-7-13(18-10)15(16)17-8-11-9-19-14-5-3-2-4-12(11)14/h2-7,9H,8H2,1H3
InChIKeyWFNMKYKTZOQWSU-UHFFFAOYSA-N
XLogP4.16
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzothiophen-3-ylmethyl 5-methylfuran-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

2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 20888278
1-benzothiophen-3-ylmethyl 4-amino-3-methylbenzoate
CID 63737772
2-(1-benzothiophen-3-yl)-1-(5-methylfuran-2-yl)ethanol
CID 65150670
1-benzothiophen-3-ylmethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 55884557
1-benzothiophen-3-ylmethyl 4-methylpentanoate
CID 55885356
1-benzothiophen-3-ylmethyl 3-amino-2-chlorobenzoate
CID 115936111
N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
CID 60777708
1-benzothiophen-3-ylmethyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 55886538
1-benzothiophen-3-ylmethyl 4-oxo-4-phenylbutanoate
CID 55885743
3-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propanoic acid
CID 23082921
3-O-(1-benzothiophen-3-ylmethyl) 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate
CID 55885221
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate?
The IUPAC name of 1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate (CID 55886136) is 1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate.
What is the SMILES notation for 1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate?
The canonical SMILES for 1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate is Cc1ccc(C(=O)OCc2csc3ccccc23)o1.
What is the InChIKey of 1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate?
The InChIKey is WFNMKYKTZOQWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3S/c1-10-6-7-13(18-10)15(16)17-8-11-9-19-14-5-3-2-4-12(11)14/h2-7,9H,8H2,1H3.
What are the key properties of 1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate?
1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate has a molecular weight of 272.32 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate is sourced from PubChem (CID 55886136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).