2-phenylmethoxythiophene

C11H10OS — CID 23130464

IUPAC2-phenylmethoxythiophene
SMILESc1ccc(COc2cccs2)cc1
InChIInChI=1S/C11H10OS/c1-2-5-10(6-3-1)9-12-11-7-4-8-13-11/h1-8H,9H2
InChIKeyYRRQAJDSSFLMTO-UHFFFAOYSA-N
MW190.27 g/mol
LogP3.33
Rot. Bonds3

About 2-phenylmethoxythiophene

2-phenylmethoxythiophene (PubChem CID 23130464) has the molecular formula C11H10OS and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-phenylmethoxythiophene.

Molecular Properties

Compound Name2-phenylmethoxythiophene
PubChem CID23130464
Molecular FormulaC11H10OS
Molecular Weight190.27 g/mol
Exact Mass190.05
IUPAC Name2-phenylmethoxythiophene
SMILESc1ccc(COc2cccs2)cc1
InChIInChI=1S/C11H10OS/c1-2-5-10(6-3-1)9-12-11-7-4-8-13-11/h1-8H,9H2
InChIKeyYRRQAJDSSFLMTO-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 2-phenylmethoxythiophene?
The IUPAC name of 2-phenylmethoxythiophene (CID 23130464) is 2-phenylmethoxythiophene.
What is the SMILES notation for 2-phenylmethoxythiophene?
The canonical SMILES for 2-phenylmethoxythiophene is c1ccc(COc2cccs2)cc1.
What is the InChIKey of 2-phenylmethoxythiophene?
The InChIKey is YRRQAJDSSFLMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS/c1-2-5-10(6-3-1)9-12-11-7-4-8-13-11/h1-8H,9H2.
What are the key properties of 2-phenylmethoxythiophene?
2-phenylmethoxythiophene 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 2-phenylmethoxythiophene is sourced from PubChem (CID 23130464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).