4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene

C17H19BrO — CID 115401938

IUPAC4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene
SMILESCC(C)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C17H19BrO/c1-13(2)16-12-15(18)8-9-17(16)19-11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyBMCZHEZAIHHMMH-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.19
Rot. Bonds5

About 4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene

4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene (PubChem CID 115401938) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene
PubChem CID115401938
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene
SMILESCC(C)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C17H19BrO/c1-13(2)16-12-15(18)8-9-17(16)19-11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyBMCZHEZAIHHMMH-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene
CID 115402000
N-benzyl-2-(4-bromo-2-propan-2-ylphenoxy)ethanamine
CID 115402837
(1R)-1-[5-bromo-2-(4-phenylbutoxy)phenyl]ethanol
CID 104893887
(1R)-1-[5-bromo-2-(4-phenylbutoxy)phenyl]ethanamine
CID 104893814
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene
CID 113302910
(2-propan-2-ylphenyl) 5-bromo-2-(2-phenylethoxy)benzoate
CID 23013157
2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline
CID 65216960
5-bromo-2-(2-phenylethoxy)aniline
CID 26190375
[5-bromo-2-(2-phenylethoxy)phenyl]methanamine
CID 28981744
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
(1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol
CID 78931026

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene?
The IUPAC name of 4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene (CID 115401938) is 4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene.
What is the SMILES notation for 4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene?
The canonical SMILES for 4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene is CC(C)c1cc(Br)ccc1OCCc1ccccc1.
What is the InChIKey of 4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene?
The InChIKey is BMCZHEZAIHHMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-13(2)16-12-15(18)8-9-17(16)19-11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene?
4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene has a molecular weight of 319.24 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene is sourced from PubChem (CID 115401938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).