(1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol

C11H13FO2 — CID 107719948

IUPAC(1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol
SMILESC=CCOc1ccc([C@@H](C)O)c(F)c1
InChIInChI=1S/C11H13FO2/c1-3-6-14-9-4-5-10(8(2)13)11(12)7-9/h3-5,7-8,13H,1,6H2,2H3/t8-/m1/s1
InChIKeyRNQFLQBNXXIJIS-MRVPVSSYSA-N
MW196.22 g/mol
LogP2.44
Rot. Bonds4

About (1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol

(1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol (PubChem CID 107719948) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol
PubChem CID107719948
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name(1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol
SMILESC=CCOc1ccc([C@@H](C)O)c(F)c1
InChIInChI=1S/C11H13FO2/c1-3-6-14-9-4-5-10(8(2)13)11(12)7-9/h3-5,7-8,13H,1,6H2,2H3/t8-/m1/s1
InChIKeyRNQFLQBNXXIJIS-MRVPVSSYSA-N
XLogP2.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.44
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

1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol
CID 107719530
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
(1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol
CID 107720663
1-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-3,3-dimethylbutan-2-ol
CID 114265291
1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol
CID 107719528
(1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol
CID 107719914
(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol
CID 107720300
(1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol
CID 114200318
1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol
CID 107719614
2-fluoro-4-prop-2-enoxyphenol
CID 169297964

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol?
The IUPAC name of (1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol (CID 107719948) is (1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol.
What is the SMILES notation for (1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol?
The canonical SMILES for (1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol is C=CCOc1ccc([C@@H](C)O)c(F)c1.
What is the InChIKey of (1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol?
The InChIKey is RNQFLQBNXXIJIS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-3-6-14-9-4-5-10(8(2)13)11(12)7-9/h3-5,7-8,13H,1,6H2,2H3/t8-/m1/s1.
What are the key properties of (1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol?
(1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol has a molecular weight of 196.22 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol is sourced from PubChem (CID 107719948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).