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

C15H17BrOS — CID 113302910

IUPAC2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene
SMILESCC(C)c1cc(Br)ccc1OCCc1cccs1
InChIInChI=1S/C15H17BrOS/c1-11(2)14-10-12(16)5-6-15(14)17-8-7-13-4-3-9-18-13/h3-6,9-11H,7-8H2,1-2H3
InChIKeyKZFAMNLVUNUFHZ-UHFFFAOYSA-N
MW325.27 g/mol
LogP5.26
Rot. Bonds5

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

2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene (PubChem CID 113302910) has the molecular formula C15H17BrOS and a molecular weight of 325.27 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene.

Molecular Properties

Compound Name2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene
PubChem CID113302910
Molecular FormulaC15H17BrOS
Molecular Weight325.27 g/mol
Exact Mass324.02
IUPAC Name2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene
SMILESCC(C)c1cc(Br)ccc1OCCc1cccs1
InChIInChI=1S/C15H17BrOS/c1-11(2)14-10-12(16)5-6-15(14)17-8-7-13-4-3-9-18-13/h3-6,9-11H,7-8H2,1-2H3
InChIKeyKZFAMNLVUNUFHZ-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.27
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 102947209
4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene
CID 115401938
(1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 55189544
1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63775282
2-[5-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63774428
1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine
CID 63775283
(1R)-1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63370121
1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 54966969
(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 78951125
4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene
CID 115402000
N-[2-(4-bromo-2-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63214231
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene?
The IUPAC name of 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene (CID 113302910) is 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene.
What is the SMILES notation for 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene?
The canonical SMILES for 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene is CC(C)c1cc(Br)ccc1OCCc1cccs1.
What is the InChIKey of 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene?
The InChIKey is KZFAMNLVUNUFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrOS/c1-11(2)14-10-12(16)5-6-15(14)17-8-7-13-4-3-9-18-13/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene?
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene has a molecular weight of 325.27 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene is sourced from PubChem (CID 113302910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).