methyl 4-phenyl-5-propylthiophene-2-carboxylate

C15H16O2S — CID 58438998

IUPACmethyl 4-phenyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)OC)cc1-c1ccccc1
InChIInChI=1S/C15H16O2S/c1-3-7-13-12(11-8-5-4-6-9-11)10-14(18-13)15(16)17-2/h4-6,8-10H,3,7H2,1-2H3
InChIKeyNABNYVPYMGPQEI-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.15
Rot. Bonds4

About methyl 4-phenyl-5-propylthiophene-2-carboxylate

methyl 4-phenyl-5-propylthiophene-2-carboxylate (PubChem CID 58438998) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is methyl 4-phenyl-5-propylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenyl-5-propylthiophene-2-carboxylate
PubChem CID58438998
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Namemethyl 4-phenyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)OC)cc1-c1ccccc1
InChIInChI=1S/C15H16O2S/c1-3-7-13-12(11-8-5-4-6-9-11)10-14(18-13)15(16)17-2/h4-6,8-10H,3,7H2,1-2H3
InChIKeyNABNYVPYMGPQEI-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-phenyl-5-propylthiophene-2-carboxylate?
The IUPAC name of methyl 4-phenyl-5-propylthiophene-2-carboxylate (CID 58438998) is methyl 4-phenyl-5-propylthiophene-2-carboxylate.
What is the SMILES notation for methyl 4-phenyl-5-propylthiophene-2-carboxylate?
The canonical SMILES for methyl 4-phenyl-5-propylthiophene-2-carboxylate is CCCc1sc(C(=O)OC)cc1-c1ccccc1.
What is the InChIKey of methyl 4-phenyl-5-propylthiophene-2-carboxylate?
The InChIKey is NABNYVPYMGPQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-3-7-13-12(11-8-5-4-6-9-11)10-14(18-13)15(16)17-2/h4-6,8-10H,3,7H2,1-2H3.
What are the key properties of methyl 4-phenyl-5-propylthiophene-2-carboxylate?
methyl 4-phenyl-5-propylthiophene-2-carboxylate has a molecular weight of 260.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenyl-5-propylthiophene-2-carboxylate is sourced from PubChem (CID 58438998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).