methyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate

C15H14O4S — CID 58847505

IUPACmethyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccccc2OC[C@@H]2CO2)s1
InChIInChI=1S/C15H14O4S/c1-17-15(16)14-7-6-13(20-14)11-4-2-3-5-12(11)19-9-10-8-18-10/h2-7,10H,8-9H2,1H3/t10-/m0/s1
InChIKeyIWPNPLLRVYFJSP-JTQLQIEISA-N
MW290.34 g/mol
LogP2.98
Rot. Bonds5

About methyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate

methyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate (PubChem CID 58847505) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate
PubChem CID58847505
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Namemethyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccccc2OC[C@@H]2CO2)s1
InChIInChI=1S/C15H14O4S/c1-17-15(16)14-7-6-13(20-14)11-4-2-3-5-12(11)19-9-10-8-18-10/h2-7,10H,8-9H2,1H3/t10-/m0/s1
InChIKeyIWPNPLLRVYFJSP-JTQLQIEISA-N
XLogP2.98
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate (CID 58847505) is methyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate is COC(=O)c1ccc(-c2ccccc2OC[C@@H]2CO2)s1.
What is the InChIKey of methyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate?
The InChIKey is IWPNPLLRVYFJSP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14O4S/c1-17-15(16)14-7-6-13(20-14)11-4-2-3-5-12(11)19-9-10-8-18-10/h2-7,10H,8-9H2,1H3/t10-/m0/s1.
What are the key properties of methyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate?
methyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate is sourced from PubChem (CID 58847505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).