2-(4-propan-2-yloxyphenyl)thiophene

C13H14OS — CID 18387785

IUPAC2-(4-propan-2-yloxyphenyl)thiophene
SMILESCC(C)Oc1ccc(-c2cccs2)cc1
InChIInChI=1S/C13H14OS/c1-10(2)14-12-7-5-11(6-8-12)13-4-3-9-15-13/h3-10H,1-2H3
InChIKeyFJHUOBXLXILSCD-UHFFFAOYSA-N
MW218.32 g/mol
LogP4.20
Rot. Bonds3

About 2-(4-propan-2-yloxyphenyl)thiophene

2-(4-propan-2-yloxyphenyl)thiophene (PubChem CID 18387785) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)thiophene.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)thiophene
PubChem CID18387785
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name2-(4-propan-2-yloxyphenyl)thiophene
SMILESCC(C)Oc1ccc(-c2cccs2)cc1
InChIInChI=1S/C13H14OS/c1-10(2)14-12-7-5-11(6-8-12)13-4-3-9-15-13/h3-10H,1-2H3
InChIKeyFJHUOBXLXILSCD-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)thiophene?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)thiophene (CID 18387785) is 2-(4-propan-2-yloxyphenyl)thiophene.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)thiophene?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)thiophene is CC(C)Oc1ccc(-c2cccs2)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)thiophene?
The InChIKey is FJHUOBXLXILSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS/c1-10(2)14-12-7-5-11(6-8-12)13-4-3-9-15-13/h3-10H,1-2H3.
What are the key properties of 2-(4-propan-2-yloxyphenyl)thiophene?
2-(4-propan-2-yloxyphenyl)thiophene has a molecular weight of 218.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)thiophene is sourced from PubChem (CID 18387785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).