bis[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]methanone

C39H24F2O5 — CID 14122281

IUPACbis[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(=O)c5ccc(F)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H24F2O5/c40-31-13-1-25(2-14-31)37(42)27-5-17-33(18-6-27)45-35-21-9-29(10-22-35)39(44)30-11-23-36(24-12-30)46-34-19-7-28(8-20-34)38(43)26-3-15-32(41)16-4-26/h1-24H
InChIKeyNDYAGGROIVXPRU-UHFFFAOYSA-N
MW610.61 g/mol
LogP9.24
Rot. Bonds10

About bis[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]methanone

bis[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]methanone (PubChem CID 14122281) has the molecular formula C39H24F2O5 and a molecular weight of 610.61 g/mol. Its IUPAC name is bis[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]methanone.

Molecular Properties

Compound Namebis[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]methanone
PubChem CID14122281
Molecular FormulaC39H24F2O5
Molecular Weight610.61 g/mol
Exact Mass610.16
IUPAC Namebis[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(=O)c5ccc(F)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H24F2O5/c40-31-13-1-25(2-14-31)37(42)27-5-17-33(18-6-27)45-35-21-9-29(10-22-35)39(44)30-11-23-36(24-12-30)46-34-19-7-28(8-20-34)38(43)26-3-15-32(41)16-4-26/h1-24H
InChIKeyNDYAGGROIVXPRU-UHFFFAOYSA-N
XLogP9.24
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.61
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]methanone?
The IUPAC name of bis[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]methanone (CID 14122281) is bis[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]methanone.
What is the SMILES notation for bis[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]methanone?
The canonical SMILES for bis[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]methanone is O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(=O)c5ccc(F)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of bis[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]methanone?
The InChIKey is NDYAGGROIVXPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F2O5/c40-31-13-1-25(2-14-31)37(42)27-5-17-33(18-6-27)45-35-21-9-29(10-22-35)39(44)30-11-23-36(24-12-30)46-34-19-7-28(8-20-34)38(43)26-3-15-32(41)16-4-26/h1-24H.
What are the key properties of bis[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]methanone?
bis[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]methanone has a molecular weight of 610.61 g/mol, XLogP of 9.24, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]methanone is sourced from PubChem (CID 14122281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).