3-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenoxy)phenoxy]phenol

C18H10F4O4 — CID 3092905

IUPAC3-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenoxy)phenoxy]phenol
SMILESOc1cccc(Oc2c(F)c(F)c(Oc3cccc(O)c3)c(F)c2F)c1
InChIInChI=1S/C18H10F4O4/c19-13-15(21)18(26-12-6-2-4-10(24)8-12)16(22)14(20)17(13)25-11-5-1-3-9(23)7-11/h1-8,23-24H
InChIKeyRHJINWZWXQEKQN-UHFFFAOYSA-N
MW366.27 g/mol
LogP5.24
Rot. Bonds4

About 3-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenoxy)phenoxy]phenol

3-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenoxy)phenoxy]phenol (PubChem CID 3092905) has the molecular formula C18H10F4O4 and a molecular weight of 366.27 g/mol. Its IUPAC name is 3-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenoxy)phenoxy]phenol.

Molecular Properties

Compound Name3-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenoxy)phenoxy]phenol
PubChem CID3092905
Molecular FormulaC18H10F4O4
Molecular Weight366.27 g/mol
Exact Mass366.05
IUPAC Name3-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenoxy)phenoxy]phenol
SMILESOc1cccc(Oc2c(F)c(F)c(Oc3cccc(O)c3)c(F)c2F)c1
InChIInChI=1S/C18H10F4O4/c19-13-15(21)18(26-12-6-2-4-10(24)8-12)16(22)14(20)17(13)25-11-5-1-3-9(23)7-11/h1-8,23-24H
InChIKeyRHJINWZWXQEKQN-UHFFFAOYSA-N
XLogP5.24
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.27
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenoxy)phenoxy]phenol?
The IUPAC name of 3-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenoxy)phenoxy]phenol (CID 3092905) is 3-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenoxy)phenoxy]phenol.
What is the SMILES notation for 3-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenoxy)phenoxy]phenol?
The canonical SMILES for 3-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenoxy)phenoxy]phenol is Oc1cccc(Oc2c(F)c(F)c(Oc3cccc(O)c3)c(F)c2F)c1.
What is the InChIKey of 3-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenoxy)phenoxy]phenol?
The InChIKey is RHJINWZWXQEKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F4O4/c19-13-15(21)18(26-12-6-2-4-10(24)8-12)16(22)14(20)17(13)25-11-5-1-3-9(23)7-11/h1-8,23-24H.
What are the key properties of 3-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenoxy)phenoxy]phenol?
3-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenoxy)phenoxy]phenol has a molecular weight of 366.27 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenoxy)phenoxy]phenol is sourced from PubChem (CID 3092905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).