1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene

C24H25BrO3 — CID 3067146

IUPAC1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
SMILESCOc1ccc(Oc2cccc(COCC(C)(C)c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C24H25BrO3/c1-24(2,19-7-9-20(25)10-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-11-21(26-3)12-14-22/h4-15H,16-17H2,1-3H3
InChIKeyQIIXHYUHTQYYOI-UHFFFAOYSA-N
MW441.37 g/mol
LogP6.74
Rot. Bonds8

About 1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene

1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene (PubChem CID 3067146) has the molecular formula C24H25BrO3 and a molecular weight of 441.37 g/mol. Its IUPAC name is 1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
PubChem CID3067146
Molecular FormulaC24H25BrO3
Molecular Weight441.37 g/mol
Exact Mass440.10
IUPAC Name1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
SMILESCOc1ccc(Oc2cccc(COCC(C)(C)c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C24H25BrO3/c1-24(2,19-7-9-20(25)10-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-11-21(26-3)12-14-22/h4-15H,16-17H2,1-3H3
InChIKeyQIIXHYUHTQYYOI-UHFFFAOYSA-N
XLogP6.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.37
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
The IUPAC name of 1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene (CID 3067146) is 1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene.
What is the SMILES notation for 1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
The canonical SMILES for 1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene is COc1ccc(Oc2cccc(COCC(C)(C)c3ccc(Br)cc3)c2)cc1.
What is the InChIKey of 1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
The InChIKey is QIIXHYUHTQYYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrO3/c1-24(2,19-7-9-20(25)10-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-11-21(26-3)12-14-22/h4-15H,16-17H2,1-3H3.
What are the key properties of 1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene has a molecular weight of 441.37 g/mol, XLogP of 6.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene is sourced from PubChem (CID 3067146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).