4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene

C18H21BrO2 — CID 115402000

IUPAC4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene
SMILESCOc1ccc(CCOc2ccc(Br)cc2C(C)C)cc1
InChIInChI=1S/C18H21BrO2/c1-13(2)17-12-15(19)6-9-18(17)21-11-10-14-4-7-16(20-3)8-5-14/h4-9,12-13H,10-11H2,1-3H3
InChIKeyFUFAJVOIYVWSHI-UHFFFAOYSA-N
MW349.27 g/mol
LogP5.20
Rot. Bonds6

About 4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene

4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene (PubChem CID 115402000) has the molecular formula C18H21BrO2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene.

Molecular Properties

Compound Name4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene
PubChem CID115402000
Molecular FormulaC18H21BrO2
Molecular Weight349.27 g/mol
Exact Mass348.07
IUPAC Name4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene
SMILESCOc1ccc(CCOc2ccc(Br)cc2C(C)C)cc1
InChIInChI=1S/C18H21BrO2/c1-13(2)17-12-15(19)6-9-18(17)21-11-10-14-4-7-16(20-3)8-5-14/h4-9,12-13H,10-11H2,1-3H3
InChIKeyFUFAJVOIYVWSHI-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.27
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-bromo-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 79007137
4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene
CID 115401938
1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446198
(1R)-1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932320
1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol
CID 65445812
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
2-bromo-4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-methoxybenzene
CID 115402080
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene
CID 113302910
(1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65447336
1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine
CID 65430834
4-bromo-N-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]aniline
CID 115402812
3-(4-bromo-2-propan-2-ylphenoxy)propanamide
CID 115401946

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene?
The IUPAC name of 4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene (CID 115402000) is 4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene.
What is the SMILES notation for 4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene?
The canonical SMILES for 4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene is COc1ccc(CCOc2ccc(Br)cc2C(C)C)cc1.
What is the InChIKey of 4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene?
The InChIKey is FUFAJVOIYVWSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO2/c1-13(2)17-12-15(19)6-9-18(17)21-11-10-14-4-7-16(20-3)8-5-14/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene?
4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene has a molecular weight of 349.27 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene is sourced from PubChem (CID 115402000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).