2-fluoro-4-prop-2-enoxyphenol

C9H9FO2 — CID 169297964

IUPAC2-fluoro-4-prop-2-enoxyphenol
SMILESC=CCOc1ccc(O)c(F)c1
InChIInChI=1S/C9H9FO2/c1-2-5-12-7-3-4-9(11)8(10)6-7/h2-4,6,11H,1,5H2
InChIKeyCIZVFEOSTUEDRS-UHFFFAOYSA-N
MW168.17 g/mol
LogP2.10
Rot. Bonds3

About 2-fluoro-4-prop-2-enoxyphenol

2-fluoro-4-prop-2-enoxyphenol (PubChem CID 169297964) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-fluoro-4-prop-2-enoxyphenol.

Molecular Properties

Compound Name2-fluoro-4-prop-2-enoxyphenol
PubChem CID169297964
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name2-fluoro-4-prop-2-enoxyphenol
SMILESC=CCOc1ccc(O)c(F)c1
InChIInChI=1S/C9H9FO2/c1-2-5-12-7-3-4-9(11)8(10)6-7/h2-4,6,11H,1,5H2
InChIKeyCIZVFEOSTUEDRS-UHFFFAOYSA-N
XLogP2.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-prop-2-enoxyphenol?
The IUPAC name of 2-fluoro-4-prop-2-enoxyphenol (CID 169297964) is 2-fluoro-4-prop-2-enoxyphenol.
What is the SMILES notation for 2-fluoro-4-prop-2-enoxyphenol?
The canonical SMILES for 2-fluoro-4-prop-2-enoxyphenol is C=CCOc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-prop-2-enoxyphenol?
The InChIKey is CIZVFEOSTUEDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-2-5-12-7-3-4-9(11)8(10)6-7/h2-4,6,11H,1,5H2.
What are the key properties of 2-fluoro-4-prop-2-enoxyphenol?
2-fluoro-4-prop-2-enoxyphenol has a molecular weight of 168.17 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-prop-2-enoxyphenol is sourced from PubChem (CID 169297964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).