trans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate

C15H14O2S — CID 11097247

IUPACtrans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(c2ccsc2)C[C@H]1c1ccccc1
InChIInChI=1S/C15H14O2S/c1-17-14(16)15(12-7-8-18-10-12)9-13(15)11-5-3-2-4-6-11/h2-8,10,13H,9H2,1H3/t13-,15-/m0/s1
InChIKeyDFMNNJMSQVJOBS-ZFWWWQNUSA-N
MW258.34 g/mol
LogP3.35
Rot. Bonds3

About trans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate

trans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate (PubChem CID 11097247) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is trans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate
PubChem CID11097247
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Nametrans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(c2ccsc2)C[C@H]1c1ccccc1
InChIInChI=1S/C15H14O2S/c1-17-14(16)15(12-7-8-18-10-12)9-13(15)11-5-3-2-4-6-11/h2-8,10,13H,9H2,1H3/t13-,15-/m0/s1
InChIKeyDFMNNJMSQVJOBS-ZFWWWQNUSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-methyl (1R,2S)-1-(3-bromophenyl)-2-phenylcyclopropane-1-carboxylate
CID 139247056
trans-methyl (1S,2R)-2-(4-tert-butylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 122384881
cis-methyl (1S,2S)-2-(4-cyanophenyl)-1-phenylcyclopropane-1-carboxylate
CID 71511985
trans-methyl (1R,2S)-2-phenyl-1-(4-tributylstannylphenyl)cyclopropane-1-carboxylate
CID 11842872
cis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 71512338
trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate
CID 162419234
methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate
CID 102133366
(1,2-diphenylcyclopropanecarbonyl) adamantane-1-carboxylate
CID 134970549
trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 44612781
cis-dimethyl (2R,3S)-2-deuterio-3-phenylcyclopropane-1,1-dicarboxylate
CID 24752248
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
CID 58725238
trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 102087442

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate (CID 11097247) is trans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate is COC(=O)[C@]1(c2ccsc2)C[C@H]1c1ccccc1.
What is the InChIKey of trans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate?
The InChIKey is DFMNNJMSQVJOBS-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H14O2S/c1-17-14(16)15(12-7-8-18-10-12)9-13(15)11-5-3-2-4-6-11/h2-8,10,13H,9H2,1H3/t13-,15-/m0/s1.
What are the key properties of trans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate?
trans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate has a molecular weight of 258.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 11097247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).