1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene

C23H20F4O2 — CID 166826298

IUPAC1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene
SMILESCc1cc(C)c(Oc2c(F)c(F)c(Oc3c(C)cccc3C)c(F)c2F)c(C)c1
InChIInChI=1S/C23H20F4O2/c1-11-9-14(4)21(15(5)10-11)29-23-18(26)16(24)22(17(25)19(23)27)28-20-12(2)7-6-8-13(20)3/h6-10H,1-5H3
InChIKeyHWIPQQBEHOMJGZ-UHFFFAOYSA-N
MW404.40 g/mol
LogP7.37
Rot. Bonds4

About 1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene

1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene (PubChem CID 166826298) has the molecular formula C23H20F4O2 and a molecular weight of 404.40 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene
PubChem CID166826298
Molecular FormulaC23H20F4O2
Molecular Weight404.40 g/mol
Exact Mass404.14
IUPAC Name1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene
SMILESCc1cc(C)c(Oc2c(F)c(F)c(Oc3c(C)cccc3C)c(F)c2F)c(C)c1
InChIInChI=1S/C23H20F4O2/c1-11-9-14(4)21(15(5)10-11)29-23-18(26)16(24)22(17(25)19(23)27)28-20-12(2)7-6-8-13(20)3/h6-10H,1-5H3
InChIKeyHWIPQQBEHOMJGZ-UHFFFAOYSA-N
XLogP7.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.40
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene?
The IUPAC name of 1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene (CID 166826298) is 1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene?
The canonical SMILES for 1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene is Cc1cc(C)c(Oc2c(F)c(F)c(Oc3c(C)cccc3C)c(F)c2F)c(C)c1.
What is the InChIKey of 1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene?
The InChIKey is HWIPQQBEHOMJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4O2/c1-11-9-14(4)21(15(5)10-11)29-23-18(26)16(24)22(17(25)19(23)27)28-20-12(2)7-6-8-13(20)3/h6-10H,1-5H3.
What are the key properties of 1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene?
1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene has a molecular weight of 404.40 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenoxy)-2,3,5,6-tetrafluoro-4-(2,4,6-trimethylphenoxy)benzene is sourced from PubChem (CID 166826298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).