methyl 2-(3-methoxythiophen-2-yl)benzoate

C13H12O3S — CID 141479159

IUPACmethyl 2-(3-methoxythiophen-2-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1sccc1OC
InChIInChI=1S/C13H12O3S/c1-15-11-7-8-17-12(11)9-5-3-4-6-10(9)13(14)16-2/h3-8H,1-2H3
InChIKeyRQUYIOLQPJXFOH-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.21
Rot. Bonds3

About methyl 2-(3-methoxythiophen-2-yl)benzoate

methyl 2-(3-methoxythiophen-2-yl)benzoate (PubChem CID 141479159) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is methyl 2-(3-methoxythiophen-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(3-methoxythiophen-2-yl)benzoate
PubChem CID141479159
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Namemethyl 2-(3-methoxythiophen-2-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1sccc1OC
InChIInChI=1S/C13H12O3S/c1-15-11-7-8-17-12(11)9-5-3-4-6-10(9)13(14)16-2/h3-8H,1-2H3
InChIKeyRQUYIOLQPJXFOH-UHFFFAOYSA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 2-methoxybenzoate
CID 178037044
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methyl 2-(2-chlorophenyl)benzoate
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3-methoxy-2-(3-methoxythiophen-2-yl)thiophene
CID 10609306
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-(2,4-dimethoxyphenyl)benzoate
CID 14078327
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-(2-oxo-1,3-dithiol-4-yl)benzoate
CID 11021386
methyl 3-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635680
methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
methyl 2-(2-methoxyphenyl)-3-nitrobenzoate
CID 22740443
methyl 3-methoxy-2-methylbenzoate
CID 12527049

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxythiophen-2-yl)benzoate?
The IUPAC name of methyl 2-(3-methoxythiophen-2-yl)benzoate (CID 141479159) is methyl 2-(3-methoxythiophen-2-yl)benzoate.
What is the SMILES notation for methyl 2-(3-methoxythiophen-2-yl)benzoate?
The canonical SMILES for methyl 2-(3-methoxythiophen-2-yl)benzoate is COC(=O)c1ccccc1-c1sccc1OC.
What is the InChIKey of methyl 2-(3-methoxythiophen-2-yl)benzoate?
The InChIKey is RQUYIOLQPJXFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c1-15-11-7-8-17-12(11)9-5-3-4-6-10(9)13(14)16-2/h3-8H,1-2H3.
What are the key properties of methyl 2-(3-methoxythiophen-2-yl)benzoate?
methyl 2-(3-methoxythiophen-2-yl)benzoate has a molecular weight of 248.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxythiophen-2-yl)benzoate is sourced from PubChem (CID 141479159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).