4-bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene

C26H18Br2F2O — CID 139889967

IUPAC4-bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2cc(Br)ccc2COCc2ccc(Br)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H18Br2F2O/c27-21-7-1-19(25(13-21)17-3-9-23(29)10-4-17)15-31-16-20-2-8-22(28)14-26(20)18-5-11-24(30)12-6-18/h1-14H,15-16H2
InChIKeyCDZZAGVFXQAJAT-UHFFFAOYSA-N
MW544.23 g/mol
LogP8.54
Rot. Bonds6

About 4-bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene

4-bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene (PubChem CID 139889967) has the molecular formula C26H18Br2F2O and a molecular weight of 544.23 g/mol. Its IUPAC name is 4-bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name4-bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene
PubChem CID139889967
Molecular FormulaC26H18Br2F2O
Molecular Weight544.23 g/mol
Exact Mass541.97
IUPAC Name4-bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2cc(Br)ccc2COCc2ccc(Br)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H18Br2F2O/c27-21-7-1-19(25(13-21)17-3-9-23(29)10-4-17)15-31-16-20-2-8-22(28)14-26(20)18-5-11-24(30)12-6-18/h1-14H,15-16H2
InChIKeyCDZZAGVFXQAJAT-UHFFFAOYSA-N
XLogP8.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.23
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,9-Dibromo-5,7-dihydrodibenzo[c,e]oxepine
CID 22316165
Bis[[1-(4-bromophenyl)-1-phenyl]methyl]ether
CID 129855011
2-Bromo-1-fluoro-4-[[2-(4-fluorophenyl)-2-methylpropoxy]methyl]benzene
CID 20252915
1-Bromo-3-[[1-(4-fluorophenyl)cyclopropyl]methoxymethyl]benzene
CID 20252957
1-Bromo-3-[[2-(4-fluorophenyl)-2-methylpropoxy]methyl]benzene
CID 20252959
2-Bromo-1-fluoro-4-[[1-(4-fluorophenyl)cyclopropyl]methoxymethyl]benzene
CID 20253012
2-(4-Bromo-2-fluorophenyl)-3-[2-(4-bromo-2-fluorophenyl)oxan-3-yl]oxyoxane
CID 22613655
4-Bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene
CID 54220444
2-Bromo-4-[(3-bromo-4-fluorophenyl)methoxymethyl]-1-fluorobenzene
CID 56628966
1-Benzyl-3-[[2-(4-bromophenyl)-3,3,3-trifluoropropoxy]methyl]benzene
CID 57172479
1-Bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene
CID 57251097
1,3-Dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene
CID 57306836

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene?
The IUPAC name of 4-bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene (CID 139889967) is 4-bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene.
What is the SMILES notation for 4-bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene?
The canonical SMILES for 4-bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene is Fc1ccc(-c2cc(Br)ccc2COCc2ccc(Br)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene?
The InChIKey is CDZZAGVFXQAJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Br2F2O/c27-21-7-1-19(25(13-21)17-3-9-23(29)10-4-17)15-31-16-20-2-8-22(28)14-26(20)18-5-11-24(30)12-6-18/h1-14H,15-16H2.
What are the key properties of 4-bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene?
4-bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene has a molecular weight of 544.23 g/mol, XLogP of 8.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene is sourced from PubChem (CID 139889967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).