(1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol

C15H14ClFO2 — CID 78941905

IUPAC(1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol
SMILESCc1ccc(Oc2ccc([C@@H](C)O)cc2F)c(Cl)c1
InChIInChI=1S/C15H14ClFO2/c1-9-3-5-14(12(16)7-9)19-15-6-4-11(10(2)18)8-13(15)17/h3-8,10,18H,1-2H3/t10-/m1/s1
InChIKeyJQTHJJWDTBCXGF-SNVBAGLBSA-N
MW280.73 g/mol
LogP4.63
Rot. Bonds3

About (1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol

(1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol (PubChem CID 78941905) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is (1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol
PubChem CID78941905
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name(1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol
SMILESCc1ccc(Oc2ccc([C@@H](C)O)cc2F)c(Cl)c1
InChIInChI=1S/C15H14ClFO2/c1-9-3-5-14(12(16)7-9)19-15-6-4-11(10(2)18)8-13(15)17/h3-8,10,18H,1-2H3/t10-/m1/s1
InChIKeyJQTHJJWDTBCXGF-SNVBAGLBSA-N
XLogP4.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
(1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78941481
(1R)-1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]ethanol
CID 78941592
(1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 78941429
1-[4-(2-chloro-4-nitrophenoxy)-3-fluorophenyl]ethanol
CID 61030672
(1S)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanol
CID 104892683
(1R)-1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethanol
CID 78941573
(1R)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanol
CID 63374690
(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
(1R)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
CID 107100127
1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
CID 107100168

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol (CID 78941905) is (1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol is Cc1ccc(Oc2ccc([C@@H](C)O)cc2F)c(Cl)c1.
What is the InChIKey of (1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol?
The InChIKey is JQTHJJWDTBCXGF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14ClFO2/c1-9-3-5-14(12(16)7-9)19-15-6-4-11(10(2)18)8-13(15)17/h3-8,10,18H,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol?
(1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol has a molecular weight of 280.73 g/mol, XLogP of 4.63, 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-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol is sourced from PubChem (CID 78941905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).