1,4-bis[4-(3-fluorophenoxy)phenoxy]-2,3-dimethylbenzene

C32H24F2O4 — CID 22338505

IUPAC1,4-bis[4-(3-fluorophenoxy)phenoxy]-2,3-dimethylbenzene
SMILESCc1c(Oc2ccc(Oc3cccc(F)c3)cc2)ccc(Oc2ccc(Oc3cccc(F)c3)cc2)c1C
InChIInChI=1S/C32H24F2O4/c1-21-22(2)32(38-28-15-11-26(12-16-28)36-30-8-4-6-24(34)20-30)18-17-31(21)37-27-13-9-25(10-14-27)35-29-7-3-5-23(33)19-29/h3-20H,1-2H3
InChIKeyZOTKSEAKBNRPMV-UHFFFAOYSA-N
MW510.54 g/mol
LogP9.75
Rot. Bonds8

About 1,4-bis[4-(3-fluorophenoxy)phenoxy]-2,3-dimethylbenzene

1,4-bis[4-(3-fluorophenoxy)phenoxy]-2,3-dimethylbenzene (PubChem CID 22338505) has the molecular formula C32H24F2O4 and a molecular weight of 510.54 g/mol. Its IUPAC name is 1,4-bis[4-(3-fluorophenoxy)phenoxy]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1,4-bis[4-(3-fluorophenoxy)phenoxy]-2,3-dimethylbenzene
PubChem CID22338505
Molecular FormulaC32H24F2O4
Molecular Weight510.54 g/mol
Exact Mass510.16
IUPAC Name1,4-bis[4-(3-fluorophenoxy)phenoxy]-2,3-dimethylbenzene
SMILESCc1c(Oc2ccc(Oc3cccc(F)c3)cc2)ccc(Oc2ccc(Oc3cccc(F)c3)cc2)c1C
InChIInChI=1S/C32H24F2O4/c1-21-22(2)32(38-28-15-11-26(12-16-28)36-30-8-4-6-24(34)20-30)18-17-31(21)37-27-13-9-25(10-14-27)35-29-7-3-5-23(33)19-29/h3-20H,1-2H3
InChIKeyZOTKSEAKBNRPMV-UHFFFAOYSA-N
XLogP9.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.54
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-(3-fluorophenoxy)phenoxy]-2,3-dimethylbenzene?
The IUPAC name of 1,4-bis[4-(3-fluorophenoxy)phenoxy]-2,3-dimethylbenzene (CID 22338505) is 1,4-bis[4-(3-fluorophenoxy)phenoxy]-2,3-dimethylbenzene.
What is the SMILES notation for 1,4-bis[4-(3-fluorophenoxy)phenoxy]-2,3-dimethylbenzene?
The canonical SMILES for 1,4-bis[4-(3-fluorophenoxy)phenoxy]-2,3-dimethylbenzene is Cc1c(Oc2ccc(Oc3cccc(F)c3)cc2)ccc(Oc2ccc(Oc3cccc(F)c3)cc2)c1C.
What is the InChIKey of 1,4-bis[4-(3-fluorophenoxy)phenoxy]-2,3-dimethylbenzene?
The InChIKey is ZOTKSEAKBNRPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F2O4/c1-21-22(2)32(38-28-15-11-26(12-16-28)36-30-8-4-6-24(34)20-30)18-17-31(21)37-27-13-9-25(10-14-27)35-29-7-3-5-23(33)19-29/h3-20H,1-2H3.
What are the key properties of 1,4-bis[4-(3-fluorophenoxy)phenoxy]-2,3-dimethylbenzene?
1,4-bis[4-(3-fluorophenoxy)phenoxy]-2,3-dimethylbenzene has a molecular weight of 510.54 g/mol, XLogP of 9.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-(3-fluorophenoxy)phenoxy]-2,3-dimethylbenzene is sourced from PubChem (CID 22338505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).