4-fluoro-3-prop-2-enoxyphenol

C9H9FO2 — CID 11159544

IUPAC4-fluoro-3-prop-2-enoxyphenol
SMILESC=CCOc1cc(O)ccc1F
InChIInChI=1S/C9H9FO2/c1-2-5-12-9-6-7(11)3-4-8(9)10/h2-4,6,11H,1,5H2
InChIKeyLQBHZBZJZRWNHC-UHFFFAOYSA-N
MW168.17 g/mol
LogP2.10
Rot. Bonds3

About 4-fluoro-3-prop-2-enoxyphenol

4-fluoro-3-prop-2-enoxyphenol (PubChem CID 11159544) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 4-fluoro-3-prop-2-enoxyphenol.

Molecular Properties

Compound Name4-fluoro-3-prop-2-enoxyphenol
PubChem CID11159544
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name4-fluoro-3-prop-2-enoxyphenol
SMILESC=CCOc1cc(O)ccc1F
InChIInChI=1S/C9H9FO2/c1-2-5-12-9-6-7(11)3-4-8(9)10/h2-4,6,11H,1,5H2
InChIKeyLQBHZBZJZRWNHC-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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Related Compounds

(4-fluoro-3-prop-2-enoxyphenyl)boronic acid
CID 114674576
3-prop-2-enoxy-4-prop-2-enylphenol
CID 14888956
1,2,4-trifluoro-5-prop-2-enoxybenzene
CID 130724512
4-ethyl-3-prop-2-enoxyphenol
CID 18512145
methyl 4-fluoro-3-prop-2-enoxybenzoate
CID 67441936
3-butoxy-4-fluorophenol
CID 174949463
N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine
CID 142399866
4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde
CID 11403025
2-fluoro-4-prop-2-enoxyphenol
CID 169297964
N-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine
CID 142360352
prop-2-enyl 2-fluoro-4-hydroxybenzoate
CID 14852522
4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane
CID 143428154

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-prop-2-enoxyphenol?
The IUPAC name of 4-fluoro-3-prop-2-enoxyphenol (CID 11159544) is 4-fluoro-3-prop-2-enoxyphenol.
What is the SMILES notation for 4-fluoro-3-prop-2-enoxyphenol?
The canonical SMILES for 4-fluoro-3-prop-2-enoxyphenol is C=CCOc1cc(O)ccc1F.
What is the InChIKey of 4-fluoro-3-prop-2-enoxyphenol?
The InChIKey is LQBHZBZJZRWNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-2-5-12-9-6-7(11)3-4-8(9)10/h2-4,6,11H,1,5H2.
What are the key properties of 4-fluoro-3-prop-2-enoxyphenol?
4-fluoro-3-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 4-fluoro-3-prop-2-enoxyphenol is sourced from PubChem (CID 11159544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).