methyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate

C13H14O2S — CID 101187511

IUPACmethyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate
SMILESCOC(=O)[C@@H](c1ccsc1)C1C=CC=CC1
InChIInChI=1S/C13H14O2S/c1-15-13(14)12(11-7-8-16-9-11)10-5-3-2-4-6-10/h2-5,7-10,12H,6H2,1H3/t10?,12-/m1/s1
InChIKeyGKMUTKUTPYGEQI-TVKKRMFBSA-N
MW234.32 g/mol
LogP3.14
Rot. Bonds3

About methyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate

methyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate (PubChem CID 101187511) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is methyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate
PubChem CID101187511
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Namemethyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate
SMILESCOC(=O)[C@@H](c1ccsc1)C1C=CC=CC1
InChIInChI=1S/C13H14O2S/c1-15-13(14)12(11-7-8-16-9-11)10-5-3-2-4-6-10/h2-5,7-10,12H,6H2,1H3/t10?,12-/m1/s1
InChIKeyGKMUTKUTPYGEQI-TVKKRMFBSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate 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

methyl (2S)-2-bromo-2-thiophen-3-ylacetate
CID 99645005
methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate
CID 60795530
methyl 2-(methylamino)-2-thiophen-3-ylacetate
CID 60787726
methyl 3-amino-2-thiophen-3-ylpropanoate
CID 19756646
methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate
CID 19756647
methyl (2R)-2-methyl-3-sulfanyl-3-thiophen-3-ylpropanoate
CID 59948768
methyl 2-acetylsulfanyl-2-thiophen-3-ylacetate
CID 11138963
methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate
CID 61002769
methyl 4-amino-3-thiophen-3-ylbutanoate
CID 101126903
2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid
CID 59610805
methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate
CID 119036739
methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride
CID 171249952

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate?
The IUPAC name of methyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate (CID 101187511) is methyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate.
What is the SMILES notation for methyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate?
The canonical SMILES for methyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate is COC(=O)[C@@H](c1ccsc1)C1C=CC=CC1.
What is the InChIKey of methyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate?
The InChIKey is GKMUTKUTPYGEQI-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H14O2S/c1-15-13(14)12(11-7-8-16-9-11)10-5-3-2-4-6-10/h2-5,7-10,12H,6H2,1H3/t10?,12-/m1/s1.
What are the key properties of methyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate?
methyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate has a molecular weight of 234.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-cyclohexa-2,4-dien-1-yl-2-thiophen-3-ylacetate is sourced from PubChem (CID 101187511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).