methyl 3-(2-thiophen-3-ylphenyl)propanoate

C14H14O2S — CID 70967888

IUPACmethyl 3-(2-thiophen-3-ylphenyl)propanoate
SMILESCOC(=O)CCc1ccccc1-c1ccsc1
InChIInChI=1S/C14H14O2S/c1-16-14(15)7-6-11-4-2-3-5-13(11)12-8-9-17-10-12/h2-5,8-10H,6-7H2,1H3
InChIKeyHNPARBWZPJOGNQ-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.52
Rot. Bonds4

About methyl 3-(2-thiophen-3-ylphenyl)propanoate

methyl 3-(2-thiophen-3-ylphenyl)propanoate (PubChem CID 70967888) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is methyl 3-(2-thiophen-3-ylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-thiophen-3-ylphenyl)propanoate
PubChem CID70967888
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Namemethyl 3-(2-thiophen-3-ylphenyl)propanoate
SMILESCOC(=O)CCc1ccccc1-c1ccsc1
InChIInChI=1S/C14H14O2S/c1-16-14(15)7-6-11-4-2-3-5-13(11)12-8-9-17-10-12/h2-5,8-10H,6-7H2,1H3
InChIKeyHNPARBWZPJOGNQ-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide
CID 90596831
3-(2-hexylphenyl)thiophene
CID 174751094
N,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine
CID 170865988
N-[(2-thiophen-3-ylphenyl)methyl]undecanamide
CID 90596958
methyl 3-[2-(chloromethyl)phenyl]propanoate
CID 70171313
N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide
CID 90596997
3-[2-(2-methylpropyl)phenyl]thiophene
CID 58439651
methyl 3-[2-(methylamino)phenyl]propanoate
CID 54226185
methyl 2-(3-thiophen-3-ylphenyl)acetate
CID 141177375
2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90597025
2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809931
2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596843

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-thiophen-3-ylphenyl)propanoate?
The IUPAC name of methyl 3-(2-thiophen-3-ylphenyl)propanoate (CID 70967888) is methyl 3-(2-thiophen-3-ylphenyl)propanoate.
What is the SMILES notation for methyl 3-(2-thiophen-3-ylphenyl)propanoate?
The canonical SMILES for methyl 3-(2-thiophen-3-ylphenyl)propanoate is COC(=O)CCc1ccccc1-c1ccsc1.
What is the InChIKey of methyl 3-(2-thiophen-3-ylphenyl)propanoate?
The InChIKey is HNPARBWZPJOGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-16-14(15)7-6-11-4-2-3-5-13(11)12-8-9-17-10-12/h2-5,8-10H,6-7H2,1H3.
What are the key properties of methyl 3-(2-thiophen-3-ylphenyl)propanoate?
methyl 3-(2-thiophen-3-ylphenyl)propanoate has a molecular weight of 246.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-thiophen-3-ylphenyl)propanoate is sourced from PubChem (CID 70967888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).