4-bromo-1-[[(4-bromo-2-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene

C26H18Br2F2O — CID 66656298

IUPAC4-bromo-1-[[(4-bromo-2-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1C(OC(c1ccccc1)c1ccc(Br)cc1F)c1ccccc1
InChIInChI=1S/C26H18Br2F2O/c27-19-11-13-21(23(29)15-19)25(17-7-3-1-4-8-17)31-26(18-9-5-2-6-10-18)22-14-12-20(28)16-24(22)30/h1-16,25-26H
InChIKeyGMUYKFYJPNDPOM-UHFFFAOYSA-N
MW544.23 g/mol
LogP8.39
Rot. Bonds6

About 4-bromo-1-[[(4-bromo-2-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene

4-bromo-1-[[(4-bromo-2-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene (PubChem CID 66656298) has the molecular formula C26H18Br2F2O and a molecular weight of 544.23 g/mol. Its IUPAC name is 4-bromo-1-[[(4-bromo-2-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-[[(4-bromo-2-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene
PubChem CID66656298
Molecular FormulaC26H18Br2F2O
Molecular Weight544.23 g/mol
Exact Mass541.97
IUPAC Name4-bromo-1-[[(4-bromo-2-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1C(OC(c1ccccc1)c1ccc(Br)cc1F)c1ccccc1
InChIInChI=1S/C26H18Br2F2O/c27-19-11-13-21(23(29)15-19)25(17-7-3-1-4-8-17)31-26(18-9-5-2-6-10-18)22-14-12-20(28)16-24(22)30/h1-16,25-26H
InChIKeyGMUYKFYJPNDPOM-UHFFFAOYSA-N
XLogP8.39
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 ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[[(4-bromo-2-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene?
The IUPAC name of 4-bromo-1-[[(4-bromo-2-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene (CID 66656298) is 4-bromo-1-[[(4-bromo-2-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-[[(4-bromo-2-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-[[(4-bromo-2-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene is Fc1cc(Br)ccc1C(OC(c1ccccc1)c1ccc(Br)cc1F)c1ccccc1.
What is the InChIKey of 4-bromo-1-[[(4-bromo-2-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene?
The InChIKey is GMUYKFYJPNDPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Br2F2O/c27-19-11-13-21(23(29)15-19)25(17-7-3-1-4-8-17)31-26(18-9-5-2-6-10-18)22-14-12-20(28)16-24(22)30/h1-16,25-26H.
What are the key properties of 4-bromo-1-[[(4-bromo-2-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene?
4-bromo-1-[[(4-bromo-2-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene has a molecular weight of 544.23 g/mol, XLogP of 8.39, 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-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene is sourced from PubChem (CID 66656298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).