1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol

C12H15FO2 — CID 107719530

IUPAC1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol
SMILESC=C(C)COc1ccc(C(C)O)c(F)c1
InChIInChI=1S/C12H15FO2/c1-8(2)7-15-10-4-5-11(9(3)14)12(13)6-10/h4-6,9,14H,1,7H2,2-3H3
InChIKeyBYYQPEQGLPIQOC-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.83
Rot. Bonds4

About 1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol

1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol (PubChem CID 107719530) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol
PubChem CID107719530
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol
SMILESC=C(C)COc1ccc(C(C)O)c(F)c1
InChIInChI=1S/C12H15FO2/c1-8(2)7-15-10-4-5-11(9(3)14)12(13)6-10/h4-6,9,14H,1,7H2,2-3H3
InChIKeyBYYQPEQGLPIQOC-UHFFFAOYSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.83
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

(1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol
CID 107719948
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 107719713
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096
1-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-3,3-dimethylbutan-2-ol
CID 114265291
(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol
CID 107720300
(1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol
CID 114200318
1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol
CID 107719528
(1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol
CID 107719914
1-[4-(3-ethoxypropoxy)-2-fluorophenyl]ethanol
CID 107719818
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol (CID 107719530) is 1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol is C=C(C)COc1ccc(C(C)O)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol?
The InChIKey is BYYQPEQGLPIQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-8(2)7-15-10-4-5-11(9(3)14)12(13)6-10/h4-6,9,14H,1,7H2,2-3H3.
What are the key properties of 1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol?
1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol has a molecular weight of 210.25 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol is sourced from PubChem (CID 107719530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).