methyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate

C14H14O2S — CID 76968567

IUPACmethyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate
SMILESCOC(=O)[C@H](C)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C14H14O2S/c1-10(14(15)16-2)11-3-5-12(6-4-11)13-7-8-17-9-13/h3-10H,1-2H3/t10-/m1/s1
InChIKeyWINXAKJYORVNHU-SNVBAGLBSA-N
MW246.33 g/mol
LogP3.69
Rot. Bonds3

About methyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate

methyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate (PubChem CID 76968567) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is methyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate
PubChem CID76968567
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Namemethyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate
SMILESCOC(=O)[C@H](C)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C14H14O2S/c1-10(14(15)16-2)11-3-5-12(6-4-11)13-7-8-17-9-13/h3-10H,1-2H3/t10-/m1/s1
InChIKeyWINXAKJYORVNHU-SNVBAGLBSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-thiophen-3-ylphenyl)ethanamine
CID 65100555
methyl 2-(4-aminophenyl)propanoate
CID 3016109
2-(4-thiophen-3-ylphenyl)propyl 2,2,2-trifluoroacetate
CID 22996518
3-(4-thiophen-3-ylphenyl)thiophene
CID 91665249
methyl 2-[4-(1-iodo-2-methylpropyl)phenyl]propanoate
CID 163571659
methyl 2-[4-(1-oxopropan-2-yl)phenyl]propanoate
CID 605628
methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate
CID 61002769
methyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate
CID 124674562
methyl 2-[4-(iodomethyl)phenyl]propanoate
CID 142631167
methyl (2S)-2-bromo-2-thiophen-3-ylacetate
CID 99645005
methyl 2-[4-(carbamoylamino)phenyl]propanoate
CID 67303594
methyl (2R)-2-methyl-3-sulfanyl-3-thiophen-3-ylpropanoate
CID 59948768

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate?
The IUPAC name of methyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate (CID 76968567) is methyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate?
The canonical SMILES for methyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate is COC(=O)[C@H](C)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of methyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate?
The InChIKey is WINXAKJYORVNHU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14O2S/c1-10(14(15)16-2)11-3-5-12(6-4-11)13-7-8-17-9-13/h3-10H,1-2H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate?
methyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate has a molecular weight of 246.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate is sourced from PubChem (CID 76968567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).