(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol

C14H12ClFO2 — CID 78941643

IUPAC(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H12ClFO2/c1-9(17)14-12(16)6-3-7-13(14)18-11-5-2-4-10(15)8-11/h2-9,17H,1H3/t9-/m1/s1
InChIKeyVRTHULQKRNQTAK-SECBINFHSA-N
MW266.70 g/mol
LogP4.32
Rot. Bonds3

About (1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol

(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol (PubChem CID 78941643) has the molecular formula C14H12ClFO2 and a molecular weight of 266.70 g/mol. Its IUPAC name is (1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol
PubChem CID78941643
Molecular FormulaC14H12ClFO2
Molecular Weight266.70 g/mol
Exact Mass266.05
IUPAC Name(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H12ClFO2/c1-9(17)14-12(16)6-3-7-13(14)18-11-5-2-4-10(15)8-11/h2-9,17H,1H3/t9-/m1/s1
InChIKeyVRTHULQKRNQTAK-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

1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 43189220
(1S)-1-[2-(3-bromophenoxy)-6-fluorophenyl]ethanol
CID 78941624
1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
CID 43506537
1-[2-fluoro-6-(4-fluorophenoxy)phenyl]ethanol
CID 43506471
3-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 63372254
(1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78944675
(1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol
CID 63540335
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol
CID 61032421
(1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 55185227
(1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 107724964
(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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol (CID 78941643) is (1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol is C[C@@H](O)c1c(F)cccc1Oc1cccc(Cl)c1.
What is the InChIKey of (1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol?
The InChIKey is VRTHULQKRNQTAK-SECBINFHSA-N. The full InChI is InChI=1S/C14H12ClFO2/c1-9(17)14-12(16)6-3-7-13(14)18-11-5-2-4-10(15)8-11/h2-9,17H,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol?
(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]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-(3-chlorophenoxy)-6-fluorophenyl]ethanol is sourced from PubChem (CID 78941643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).