4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene

C23H21BrCl2O2 — CID 3067128

IUPAC4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene
SMILESCC(C)(COCc1cccc(Oc2ccc(Br)cc2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H21BrCl2O2/c1-23(2,17-6-11-21(25)22(26)13-17)15-27-14-16-4-3-5-20(12-16)28-19-9-7-18(24)8-10-19/h3-13H,14-15H2,1-2H3
InChIKeyYBSTZCZAFWCYND-UHFFFAOYSA-N
MW480.23 g/mol
LogP8.04
Rot. Bonds7

About 4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene

4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene (PubChem CID 3067128) has the molecular formula C23H21BrCl2O2 and a molecular weight of 480.23 g/mol. Its IUPAC name is 4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene
PubChem CID3067128
Molecular FormulaC23H21BrCl2O2
Molecular Weight480.23 g/mol
Exact Mass478.01
IUPAC Name4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene
SMILESCC(C)(COCc1cccc(Oc2ccc(Br)cc2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H21BrCl2O2/c1-23(2,17-6-11-21(25)22(26)13-17)15-27-14-16-4-3-5-20(12-16)28-19-9-7-18(24)8-10-19/h3-13H,14-15H2,1-2H3
InChIKeyYBSTZCZAFWCYND-UHFFFAOYSA-N
XLogP8.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.23
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067155
Benzene, 1-(4-bromophenoxy)-3-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-
CID 3067113
Benzene, 1-((2-(3,4-dichlorophenyl)-2-methylpropoxy)methyl)-3-(4-fluorophenoxy)-
CID 3067124
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-(4-methylphenoxy)-
CID 3067126
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-(3-methylphenoxy)-
CID 3067133
Benzene, 1-(4-bromophenoxy)-3-((2-(4-methylphenyl)-2-methylpropoxy)methyl)-
CID 3067140
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-(4-methoxyphenoxy)-
CID 3067141
Benzene, 1-((2-(3,4-dichlorophenyl)-2-methylpropoxy)methyl)-3-(4-methoxyphenoxy)-
CID 3067147
Benzene, 1-(4-bromophenoxy)-3-((2-(4-chlorophenyl)-2-methylbutoxy)methyl)-
CID 3067152
Benzene, 1-((2-(3,4-dichlorophenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067154
Benzene, 1-((2-(4-chlorophenyl)-2-methylbutoxy)methyl)-3-phenoxy-
CID 3067156
Benzene, 1-((2-(3,4-dichlorophenyl)-2-methylbutoxy)methyl)-3-phenoxy-
CID 3067158

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene?
The IUPAC name of 4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene (CID 3067128) is 4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene.
What is the SMILES notation for 4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene?
The canonical SMILES for 4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene is CC(C)(COCc1cccc(Oc2ccc(Br)cc2)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene?
The InChIKey is YBSTZCZAFWCYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrCl2O2/c1-23(2,17-6-11-21(25)22(26)13-17)15-27-14-16-4-3-5-20(12-16)28-19-9-7-18(24)8-10-19/h3-13H,14-15H2,1-2H3.
What are the key properties of 4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene?
4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene has a molecular weight of 480.23 g/mol, XLogP of 8.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene is sourced from PubChem (CID 3067128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).