4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol

C13H8F4O2 — CID 144813856

IUPAC4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol
SMILESCc1c(F)c(F)c(Oc2ccc(O)cc2)c(F)c1F
InChIInChI=1S/C13H8F4O2/c1-6-9(14)11(16)13(12(17)10(6)15)19-8-4-2-7(18)3-5-8/h2-5,18H,1H3
InChIKeyUGWVJKRUNABIPX-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.05
Rot. Bonds2

About 4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol

4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol (PubChem CID 144813856) has the molecular formula C13H8F4O2 and a molecular weight of 272.20 g/mol. Its IUPAC name is 4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol.

Molecular Properties

Compound Name4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol
PubChem CID144813856
Molecular FormulaC13H8F4O2
Molecular Weight272.20 g/mol
Exact Mass272.05
IUPAC Name4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol
SMILESCc1c(F)c(F)c(Oc2ccc(O)cc2)c(F)c1F
InChIInChI=1S/C13H8F4O2/c1-6-9(14)11(16)13(12(17)10(6)15)19-8-4-2-7(18)3-5-8/h2-5,18H,1H3
InChIKeyUGWVJKRUNABIPX-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloro-3,5,6-trifluoro-4-methylphenoxy)phenol
CID 88799728
(4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone
CID 58690167
1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene
CID 58185850
1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene
CID 54083625
bis(4-(4-hydroxyphenoxy)phenol);hydrate
CID 67711282
1,2,4,5-tetrafluoro-3,6-diphenoxybenzene
CID 679714
2-(4-hydroxyphenoxy)benzene-1,3,5-triol
CID 14020522
1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene
CID 29052620
4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol
CID 58792408
1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene
CID 102110904
4-(2,3,5,6-tetrafluoro-4-hydroxyphenoxy)benzoic acid
CID 165069523
4-(2,3-difluoro-6-nitrophenoxy)phenol
CID 55086265

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol?
The IUPAC name of 4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol (CID 144813856) is 4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol.
What is the SMILES notation for 4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol?
The canonical SMILES for 4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol is Cc1c(F)c(F)c(Oc2ccc(O)cc2)c(F)c1F.
What is the InChIKey of 4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol?
The InChIKey is UGWVJKRUNABIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4O2/c1-6-9(14)11(16)13(12(17)10(6)15)19-8-4-2-7(18)3-5-8/h2-5,18H,1H3.
What are the key properties of 4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol?
4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol has a molecular weight of 272.20 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol is sourced from PubChem (CID 144813856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).