(1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol

C17H19FO2 — CID 78941712

IUPAC(1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
SMILESCC(C)c1ccccc1Oc1cccc(F)c1[C@H](C)O
InChIInChI=1S/C17H19FO2/c1-11(2)13-7-4-5-9-15(13)20-16-10-6-8-14(18)17(16)12(3)19/h4-12,19H,1-3H3/t12-/m0/s1
InChIKeyNPPYHFIYIBKJNG-LBPRGKRZSA-N
MW274.33 g/mol
LogP4.79
Rot. Bonds4

About (1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol

(1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol (PubChem CID 78941712) has the molecular formula C17H19FO2 and a molecular weight of 274.33 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
PubChem CID78941712
Molecular FormulaC17H19FO2
Molecular Weight274.33 g/mol
Exact Mass274.14
IUPAC Name(1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
SMILESCC(C)c1ccccc1Oc1cccc(F)c1[C@H](C)O
InChIInChI=1S/C17H19FO2/c1-11(2)13-7-4-5-9-15(13)20-16-10-6-8-14(18)17(16)12(3)19/h4-12,19H,1-3H3/t12-/m0/s1
InChIKeyNPPYHFIYIBKJNG-LBPRGKRZSA-N
XLogP4.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506529
1-[2-fluoro-6-(2-methylphenoxy)phenyl]ethanol
CID 43506466
1-(2-fluoro-6-naphthalen-1-yloxyphenyl)ethanol
CID 43506509
1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506531
2-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 78941465
(1S)-1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941700
1-[2-fluoro-6-(4-fluorophenoxy)phenyl]ethanol
CID 43506471
(1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 55185227
1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 64854056
(1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 79001316
(1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol
CID 63540335
1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol
CID 61031657

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol (CID 78941712) is (1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol is CC(C)c1ccccc1Oc1cccc(F)c1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol?
The InChIKey is NPPYHFIYIBKJNG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FO2/c1-11(2)13-7-4-5-9-15(13)20-16-10-6-8-14(18)17(16)12(3)19/h4-12,19H,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol?
(1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol has a molecular weight of 274.33 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol is sourced from PubChem (CID 78941712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).