2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene

C24H24BrFO2 — CID 23313953

IUPAC2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene
SMILESCc1ccc(C(C)(C)COCc2ccc(F)c(Oc3ccccc3)c2)cc1Br
InChIInChI=1S/C24H24BrFO2/c1-17-9-11-19(14-21(17)25)24(2,3)16-27-15-18-10-12-22(26)23(13-18)28-20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3
InChIKeyTUDQULVULVWPRK-UHFFFAOYSA-N
MW443.36 g/mol
LogP7.18
Rot. Bonds7

About 2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene

2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene (PubChem CID 23313953) has the molecular formula C24H24BrFO2 and a molecular weight of 443.36 g/mol. Its IUPAC name is 2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene.

Molecular Properties

Compound Name2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene
PubChem CID23313953
Molecular FormulaC24H24BrFO2
Molecular Weight443.36 g/mol
Exact Mass442.09
IUPAC Name2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene
SMILESCc1ccc(C(C)(C)COCc2ccc(F)c(Oc3ccccc3)c2)cc1Br
InChIInChI=1S/C24H24BrFO2/c1-17-9-11-19(14-21(17)25)24(2,3)16-27-15-18-10-12-22(26)23(13-18)28-20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3
InChIKeyTUDQULVULVWPRK-UHFFFAOYSA-N
XLogP7.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.36
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Halfenprox
CID 10140464
Benzene, 1-((2-(4-(1-methylethyl)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 595030
Benzene, 1-(4-fluorophenoxy)-3-((2-(4-fluorophenyl)-2-methylbutoxy)methyl)-
CID 3067111
Benzene, 1-(4-fluorophenoxy)-3-((2-methyl-2-(4-methylphenyl)propoxy)methyl)-
CID 3067112
Benzene, 1-((2-methyl-2-phenylpropoxy)methyl)-3-phenoxy-
CID 3067114
Benzene, 1-((2-(4-(difluoromethoxy)phenyl)-2-methylpropoxy)methyl)-3-(4-fluorophenoxy)-
CID 3067118
Benzene, 1-(4-bromophenoxy)-3-((2-(4-fluorophenyl)-2-methylbutoxy)methyl)-
CID 3067123
Benzene, 1-(4-fluorophenoxy)-3-((2-methyl-2-phenylpropoxy)methyl)-
CID 3067135
Benzene, 1-(4-bromophenoxy)-3-((2-(4-(difluoromethoxy)phenyl)-2-methylpropoxy)methyl)-
CID 3067137
Benzene, 1-(4-fluorophenoxy)-3-((2-(4-methoxyphenyl)-2-methylpropoxy)methyl)-
CID 3067139
Benzene, 1-(4-bromophenoxy)-3-((2-(4-methylphenyl)-2-methylpropoxy)methyl)-
CID 3067140
Benzene, 1-(4-fluorophenoxy)-3-((2-(3-methylphenyl)-2-methylpropoxy)methyl)-
CID 3067143

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene?
The IUPAC name of 2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene (CID 23313953) is 2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene.
What is the SMILES notation for 2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene?
The canonical SMILES for 2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene is Cc1ccc(C(C)(C)COCc2ccc(F)c(Oc3ccccc3)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene?
The InChIKey is TUDQULVULVWPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrFO2/c1-17-9-11-19(14-21(17)25)24(2,3)16-27-15-18-10-12-22(26)23(13-18)28-20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3.
What are the key properties of 2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene?
2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene has a molecular weight of 443.36 g/mol, XLogP of 7.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene is sourced from PubChem (CID 23313953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).