(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol

C14H12ClFO2 — CID 78941796

IUPAC(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C14H12ClFO2/c1-9(17)11-4-2-3-5-13(11)18-14-7-6-10(16)8-12(14)15/h2-9,17H,1H3/t9-/m1/s1
InChIKeyGVYKAJDKRUHZHZ-SECBINFHSA-N
MW266.70 g/mol
LogP4.32
Rot. Bonds3

About (1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol

(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol (PubChem CID 78941796) has the molecular formula C14H12ClFO2 and a molecular weight of 266.70 g/mol. Its IUPAC name is (1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
PubChem CID78941796
Molecular FormulaC14H12ClFO2
Molecular Weight266.70 g/mol
Exact Mass266.05
IUPAC Name(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C14H12ClFO2/c1-9(17)11-4-2-3-5-13(11)18-14-7-6-10(16)8-12(14)15/h2-9,17H,1H3/t9-/m1/s1
InChIKeyGVYKAJDKRUHZHZ-SECBINFHSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
CID 55184876
1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970752
(1R)-1-[2-(2,4-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 63372482
1-[4-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970825
(1R)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanol
CID 63374690
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
CID 116689382
1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine
CID 63532134
(1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 63540954
(1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol
CID 63541276
(1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 55183586
(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
CID 78941416
(1S)-1-[4-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 63374529

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol (CID 78941796) is (1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol is C[C@@H](O)c1ccccc1Oc1ccc(F)cc1Cl.
What is the InChIKey of (1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol?
The InChIKey is GVYKAJDKRUHZHZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H12ClFO2/c1-9(17)11-4-2-3-5-13(11)18-14-7-6-10(16)8-12(14)15/h2-9,17H,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol?
(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol has a molecular weight of 266.70 g/mol, XLogP of 4.32, 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-chloro-4-fluorophenoxy)phenyl]ethanol is sourced from PubChem (CID 78941796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).