(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol

C16H17FO2 — CID 78941581

IUPAC(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
SMILESCc1ccc(C)c(Oc2cccc(F)c2[C@@H](C)O)c1
InChIInChI=1S/C16H17FO2/c1-10-7-8-11(2)15(9-10)19-14-6-4-5-13(17)16(14)12(3)18/h4-9,12,18H,1-3H3/t12-/m1/s1
InChIKeyVDGRXEOMOCXBOB-GFCCVEGCSA-N
MW260.31 g/mol
LogP4.29
Rot. Bonds3

About (1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol

(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol (PubChem CID 78941581) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is (1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
PubChem CID78941581
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
SMILESCc1ccc(C)c(Oc2cccc(F)c2[C@@H](C)O)c1
InChIInChI=1S/C16H17FO2/c1-10-7-8-11(2)15(9-10)19-14-6-4-5-13(17)16(14)12(3)18/h4-9,12,18H,1-3H3/t12-/m1/s1
InChIKeyVDGRXEOMOCXBOB-GFCCVEGCSA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 79001316
1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 64854056
1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol
CID 107284910
1-[2-fluoro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 43506269
1-[2-fluoro-6-(2-methylphenoxy)phenyl]ethanol
CID 43506466
1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol
CID 61312027
(1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol
CID 63540335
2-(2,5-dimethylphenoxy)-6-fluoroaniline
CID 54920394
1-[2-fluoro-6-(4-fluorophenoxy)phenyl]ethanol
CID 43506471
(1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78944675
(1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 107724964
2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid
CID 79511660

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol (CID 78941581) is (1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol is Cc1ccc(C)c(Oc2cccc(F)c2[C@@H](C)O)c1.
What is the InChIKey of (1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol?
The InChIKey is VDGRXEOMOCXBOB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17FO2/c1-10-7-8-11(2)15(9-10)19-14-6-4-5-13(17)16(14)12(3)18/h4-9,12,18H,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol?
(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol has a molecular weight of 260.31 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol is sourced from PubChem (CID 78941581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).