4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol

C15H10F4O2 — CID 140941316

IUPAC4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol
SMILESC=Cc1ccc(COc2c(F)c(F)c(O)c(F)c2F)cc1
InChIInChI=1S/C15H10F4O2/c1-2-8-3-5-9(6-4-8)7-21-15-12(18)10(16)14(20)11(17)13(15)19/h2-6,20H,1,7H2
InChIKeyKLYKDVHAYLIYBD-UHFFFAOYSA-N
MW298.24 g/mol
LogP4.17
Rot. Bonds4

About 4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol

4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol (PubChem CID 140941316) has the molecular formula C15H10F4O2 and a molecular weight of 298.24 g/mol. Its IUPAC name is 4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol.

Molecular Properties

Compound Name4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol
PubChem CID140941316
Molecular FormulaC15H10F4O2
Molecular Weight298.24 g/mol
Exact Mass298.06
IUPAC Name4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol
SMILESC=Cc1ccc(COc2c(F)c(F)c(O)c(F)c2F)cc1
InChIInChI=1S/C15H10F4O2/c1-2-8-3-5-9(6-4-8)7-21-15-12(18)10(16)14(20)11(17)13(15)19/h2-6,20H,1,7H2
InChIKeyKLYKDVHAYLIYBD-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 54.17
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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol?
The IUPAC name of 4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol (CID 140941316) is 4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol.
What is the SMILES notation for 4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol?
The canonical SMILES for 4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol is C=Cc1ccc(COc2c(F)c(F)c(O)c(F)c2F)cc1.
What is the InChIKey of 4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol?
The InChIKey is KLYKDVHAYLIYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O2/c1-2-8-3-5-9(6-4-8)7-21-15-12(18)10(16)14(20)11(17)13(15)19/h2-6,20H,1,7H2.
What are the key properties of 4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol?
4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol has a molecular weight of 298.24 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol is sourced from PubChem (CID 140941316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).