3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene

C15H18OS — CID 64763301

IUPAC3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene
SMILESCC(C)c1ccc(OCCc2ccsc2)cc1
InChIInChI=1S/C15H18OS/c1-12(2)14-3-5-15(6-4-14)16-9-7-13-8-10-17-11-13/h3-6,8,10-12H,7,9H2,1-2H3
InChIKeyCVEHEBXVJLFIFY-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.49
Rot. Bonds5

About 3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene

3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene (PubChem CID 64763301) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene.

Molecular Properties

Compound Name3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene
PubChem CID64763301
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene
SMILESCC(C)c1ccc(OCCc2ccsc2)cc1
InChIInChI=1S/C15H18OS/c1-12(2)14-3-5-15(6-4-14)16-9-7-13-8-10-17-11-13/h3-6,8,10-12H,7,9H2,1-2H3
InChIKeyCVEHEBXVJLFIFY-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine
CID 78956495
(1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol
CID 78956541
N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide
CID 101025085
1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 60976741
2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile
CID 102674720
1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole
CID 116804596
1-(2-methylsulfonylethoxy)-4-propan-2-ylbenzene
CID 64763839
1-(4-butoxyphenyl)-3-thiophen-3-ylpropan-1-one
CID 105099876
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528085
1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone
CID 61053848
5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one
CID 102670879

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene?
The IUPAC name of 3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene (CID 64763301) is 3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene.
What is the SMILES notation for 3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene?
The canonical SMILES for 3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene is CC(C)c1ccc(OCCc2ccsc2)cc1.
What is the InChIKey of 3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene?
The InChIKey is CVEHEBXVJLFIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-12(2)14-3-5-15(6-4-14)16-9-7-13-8-10-17-11-13/h3-6,8,10-12H,7,9H2,1-2H3.
What are the key properties of 3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene?
3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene has a molecular weight of 246.38 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene is sourced from PubChem (CID 64763301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).