3-(phenoxymethyl)thiophene

C11H10OS — CID 14326169

IUPAC3-(phenoxymethyl)thiophene
SMILESc1ccc(OCc2ccsc2)cc1
InChIInChI=1S/C11H10OS/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10/h1-7,9H,8H2
InChIKeyHKQPCIWNHQRHGQ-UHFFFAOYSA-N
MW190.27 g/mol
LogP3.33
Rot. Bonds3

About 3-(phenoxymethyl)thiophene

3-(phenoxymethyl)thiophene (PubChem CID 14326169) has the molecular formula C11H10OS and a molecular weight of 190.27 g/mol. Its IUPAC name is 3-(phenoxymethyl)thiophene.

Molecular Properties

Compound Name3-(phenoxymethyl)thiophene
PubChem CID14326169
Molecular FormulaC11H10OS
Molecular Weight190.27 g/mol
Exact Mass190.05
IUPAC Name3-(phenoxymethyl)thiophene
SMILESc1ccc(OCc2ccsc2)cc1
InChIInChI=1S/C11H10OS/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10/h1-7,9H,8H2
InChIKeyHKQPCIWNHQRHGQ-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)thiophene?
The IUPAC name of 3-(phenoxymethyl)thiophene (CID 14326169) is 3-(phenoxymethyl)thiophene.
What is the SMILES notation for 3-(phenoxymethyl)thiophene?
The canonical SMILES for 3-(phenoxymethyl)thiophene is c1ccc(OCc2ccsc2)cc1.
What is the InChIKey of 3-(phenoxymethyl)thiophene?
The InChIKey is HKQPCIWNHQRHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10/h1-7,9H,8H2.
What are the key properties of 3-(phenoxymethyl)thiophene?
3-(phenoxymethyl)thiophene has a molecular weight of 190.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)thiophene is sourced from PubChem (CID 14326169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).