methyl 5-phenylthiophene-2-carboxylate

C12H10O2S — CID 2741515

IUPACmethyl 5-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C12H10O2S/c1-14-12(13)11-8-7-10(15-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyUTTYIXTVWNXIDC-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.20
Rot. Bonds2

About methyl 5-phenylthiophene-2-carboxylate

methyl 5-phenylthiophene-2-carboxylate (PubChem CID 2741515) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is methyl 5-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenylthiophene-2-carboxylate
PubChem CID2741515
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Namemethyl 5-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C12H10O2S/c1-14-12(13)11-8-7-10(15-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyUTTYIXTVWNXIDC-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-phenylthiophene-2-carboxylate?
The IUPAC name of methyl 5-phenylthiophene-2-carboxylate (CID 2741515) is methyl 5-phenylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-phenylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-phenylthiophene-2-carboxylate is COC(=O)c1ccc(-c2ccccc2)s1.
What is the InChIKey of methyl 5-phenylthiophene-2-carboxylate?
The InChIKey is UTTYIXTVWNXIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c1-14-12(13)11-8-7-10(15-11)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of methyl 5-phenylthiophene-2-carboxylate?
methyl 5-phenylthiophene-2-carboxylate has a molecular weight of 218.28 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenylthiophene-2-carboxylate is sourced from PubChem (CID 2741515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).