1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene

C28H24BrFO2 — CID 170746175

IUPAC1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene
SMILESCCc1cc(-c2ccc(OCc3ccccc3)cc2F)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C28H24BrFO2/c1-2-22-15-25(26(29)17-28(22)32-19-21-11-7-4-8-12-21)24-14-13-23(16-27(24)30)31-18-20-9-5-3-6-10-20/h3-17H,2,18-19H2,1H3
InChIKeyWBSFXONLPQDTDT-UHFFFAOYSA-N
MW491.40 g/mol
LogP7.98
Rot. Bonds8

About 1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene

1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene (PubChem CID 170746175) has the molecular formula C28H24BrFO2 and a molecular weight of 491.40 g/mol. Its IUPAC name is 1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene.

Molecular Properties

Compound Name1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene
PubChem CID170746175
Molecular FormulaC28H24BrFO2
Molecular Weight491.40 g/mol
Exact Mass490.09
IUPAC Name1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene
SMILESCCc1cc(-c2ccc(OCc3ccccc3)cc2F)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C28H24BrFO2/c1-2-22-15-25(26(29)17-28(22)32-19-21-11-7-4-8-12-21)24-14-13-23(16-27(24)30)31-18-20-9-5-3-6-10-20/h3-17H,2,18-19H2,1H3
InChIKeyWBSFXONLPQDTDT-UHFFFAOYSA-N
XLogP7.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.40
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene
CID 54361131
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene
CID 155588527
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene
CID 167488738
1-bromo-4-phenylmethoxy-2-propylbenzene
CID 58754092
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene
CID 10687073
2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene
CID 3743776
2-fluoro-1-nitroso-4-phenylmethoxybenzene
CID 123801524
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene?
The IUPAC name of 1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene (CID 170746175) is 1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene.
What is the SMILES notation for 1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene?
The canonical SMILES for 1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene is CCc1cc(-c2ccc(OCc3ccccc3)cc2F)c(Br)cc1OCc1ccccc1.
What is the InChIKey of 1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene?
The InChIKey is WBSFXONLPQDTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24BrFO2/c1-2-22-15-25(26(29)17-28(22)32-19-21-11-7-4-8-12-21)24-14-13-23(16-27(24)30)31-18-20-9-5-3-6-10-20/h3-17H,2,18-19H2,1H3.
What are the key properties of 1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene?
1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene has a molecular weight of 491.40 g/mol, XLogP of 7.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene is sourced from PubChem (CID 170746175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).