(1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol

C16H17FO2 — CID 78941481

IUPAC(1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol
SMILESCc1ccc(Oc2ccc([C@@H](C)O)cc2F)c(C)c1
InChIInChI=1S/C16H17FO2/c1-10-4-6-15(11(2)8-10)19-16-7-5-13(12(3)18)9-14(16)17/h4-9,12,18H,1-3H3/t12-/m1/s1
InChIKeyXESVHQJUAZVKIE-GFCCVEGCSA-N
MW260.31 g/mol
LogP4.29
Rot. Bonds3

About (1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol

(1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol (PubChem CID 78941481) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is (1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol
PubChem CID78941481
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name(1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol
SMILESCc1ccc(Oc2ccc([C@@H](C)O)cc2F)c(C)c1
InChIInChI=1S/C16H17FO2/c1-10-4-6-15(11(2)8-10)19-16-7-5-13(12(3)18)9-14(16)17/h4-9,12,18H,1-3H3/t12-/m1/s1
InChIKeyXESVHQJUAZVKIE-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

(1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol
CID 78941905
(1R)-1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]ethanol
CID 107659139
(1R)-1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethanol
CID 78941573
(1S)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284879
(1R)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284914
(1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol
CID 107169699
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 107724988
(1S)-1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78944746
(1R)-1-[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78944838
(1S)-1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941700
1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506531
(1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol
CID 63374956

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol (CID 78941481) is (1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol is Cc1ccc(Oc2ccc([C@@H](C)O)cc2F)c(C)c1.
What is the InChIKey of (1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol?
The InChIKey is XESVHQJUAZVKIE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17FO2/c1-10-4-6-15(11(2)8-10)19-16-7-5-13(12(3)18)9-14(16)17/h4-9,12,18H,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol?
(1R)-1-[4-(2,4-dimethylphenoxy)-3-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-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol is sourced from PubChem (CID 78941481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).