2-fluoro-6-prop-2-enylphenol

C9H9FO — CID 22761802

IUPAC2-fluoro-6-prop-2-enylphenol
SMILESC=CCc1cccc(F)c1O
InChIInChI=1S/C9H9FO/c1-2-4-7-5-3-6-8(10)9(7)11/h2-3,5-6,11H,1,4H2
InChIKeyALQMRUZBCJQKGA-UHFFFAOYSA-N
MW152.17 g/mol
LogP2.26
Rot. Bonds2

About 2-fluoro-6-prop-2-enylphenol

2-fluoro-6-prop-2-enylphenol (PubChem CID 22761802) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 2-fluoro-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-fluoro-6-prop-2-enylphenol
PubChem CID22761802
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name2-fluoro-6-prop-2-enylphenol
SMILESC=CCc1cccc(F)c1O
InChIInChI=1S/C9H9FO/c1-2-4-7-5-3-6-8(10)9(7)11/h2-3,5-6,11H,1,4H2
InChIKeyALQMRUZBCJQKGA-UHFFFAOYSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

P-Cresol
CID 2879
Thymol
CID 6989
O-Cresol
CID 335
M-Cresol
CID 342
2,4-Dimethylphenol
CID 7771
(1,1'-Biphenyl)-2-ol
CID 7017
Salicyl Alcohol
CID 5146
Tyrosol
CID 10393
4-Nonylphenol
CID 1752
2,5-Dimethylphenol
CID 7267
Carvacrol
CID 10364
2-Ethylphenol
CID 6997

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-prop-2-enylphenol?
The IUPAC name of 2-fluoro-6-prop-2-enylphenol (CID 22761802) is 2-fluoro-6-prop-2-enylphenol.
What is the SMILES notation for 2-fluoro-6-prop-2-enylphenol?
The canonical SMILES for 2-fluoro-6-prop-2-enylphenol is C=CCc1cccc(F)c1O.
What is the InChIKey of 2-fluoro-6-prop-2-enylphenol?
The InChIKey is ALQMRUZBCJQKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c1-2-4-7-5-3-6-8(10)9(7)11/h2-3,5-6,11H,1,4H2.
What are the key properties of 2-fluoro-6-prop-2-enylphenol?
2-fluoro-6-prop-2-enylphenol has a molecular weight of 152.17 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-prop-2-enylphenol is sourced from PubChem (CID 22761802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).