2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene

C26H28BrFO2 — CID 21269692

IUPAC2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene
SMILESCCOc1ccc(C(C)(C)CCCc2ccc(F)c(Oc3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C26H28BrFO2/c1-4-29-22-12-8-20(9-13-22)26(2,3)17-5-6-19-7-16-24(28)25(18-19)30-23-14-10-21(27)11-15-23/h7-16,18H,4-6,17H2,1-3H3
InChIKeyAOZDUTZPXNDUEG-UHFFFAOYSA-N
MW471.41 g/mol
LogP8.08
Rot. Bonds9

About 2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene

2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene (PubChem CID 21269692) has the molecular formula C26H28BrFO2 and a molecular weight of 471.41 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene
PubChem CID21269692
Molecular FormulaC26H28BrFO2
Molecular Weight471.41 g/mol
Exact Mass470.13
IUPAC Name2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene
SMILESCCOc1ccc(C(C)(C)CCCc2ccc(F)c(Oc3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C26H28BrFO2/c1-4-29-22-12-8-20(9-13-22)26(2,3)17-5-6-19-7-16-24(28)25(18-19)30-23-14-10-21(27)11-15-23/h7-16,18H,4-6,17H2,1-3H3
InChIKeyAOZDUTZPXNDUEG-UHFFFAOYSA-N
XLogP8.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.41
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-4-[4-(4-chlorophenyl)-4-methylhex-5-ynyl]-1-fluorobenzene
CID 88645439
1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene
CID 21269868
4-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
CID 15582662
4-[4-(4-ethoxyphenyl)-4-propan-2-ylhex-5-ynyl]-1-fluoro-2-phenoxybenzene
CID 88646070
1-fluoro-4-[4-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]pentyl]-2-phenoxybenzene
CID 54014319
4-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-2-(3-methylphenoxy)benzene
CID 21269768
1,2-diethoxy-4-[6-(4-fluoro-3-phenoxyphenyl)-3-methylhex-1-en-3-yl]benzene
CID 70412699
1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene
CID 21269757
CID 143888632
CID 143888632
1-fluoro-2-(2-fluorophenoxy)-4-[4-methyl-4-(4-methylsulfanylphenyl)pentyl]benzene
CID 70390745
4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene
CID 67930594
1-fluoro-4-[4-methyl-4-(4-prop-2-enoxyphenyl)hex-5-ynyl]-2-phenoxybenzene
CID 14279526

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene?
The IUPAC name of 2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene (CID 21269692) is 2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene.
What is the SMILES notation for 2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene?
The canonical SMILES for 2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene is CCOc1ccc(C(C)(C)CCCc2ccc(F)c(Oc3ccc(Br)cc3)c2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene?
The InChIKey is AOZDUTZPXNDUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrFO2/c1-4-29-22-12-8-20(9-13-22)26(2,3)17-5-6-19-7-16-24(28)25(18-19)30-23-14-10-21(27)11-15-23/h7-16,18H,4-6,17H2,1-3H3.
What are the key properties of 2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene?
2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene has a molecular weight of 471.41 g/mol, XLogP of 8.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene is sourced from PubChem (CID 21269692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).