(1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol

C16H16ClFO2 — CID 78944675

IUPAC(1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol
SMILESCc1cc(Cl)cc(C)c1Oc1cccc(F)c1[C@H](C)O
InChIInChI=1S/C16H16ClFO2/c1-9-7-12(17)8-10(2)16(9)20-14-6-4-5-13(18)15(14)11(3)19/h4-8,11,19H,1-3H3/t11-/m0/s1
InChIKeyBDQZKDIMUORPSK-NSHDSACASA-N
MW294.75 g/mol
LogP4.94
Rot. Bonds3

About (1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol

(1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol (PubChem CID 78944675) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is (1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol
PubChem CID78944675
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name(1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol
SMILESCc1cc(Cl)cc(C)c1Oc1cccc(F)c1[C@H](C)O
InChIInChI=1S/C16H16ClFO2/c1-9-7-12(17)8-10(2)16(9)20-14-6-4-5-13(18)15(14)11(3)19/h4-8,11,19H,1-3H3/t11-/m0/s1
InChIKeyBDQZKDIMUORPSK-NSHDSACASA-N
XLogP4.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol
CID 78941643
(1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 55185227
1-[2-fluoro-6-(2-methylphenoxy)phenyl]ethanol
CID 43506466
(1S)-1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78944746
(1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 79001316
(1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol
CID 63540335
1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 64854056
1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
CID 43506537
(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78941581
(1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 107724964
2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile
CID 79513408
1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol
CID 107284910

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol (CID 78944675) is (1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol is Cc1cc(Cl)cc(C)c1Oc1cccc(F)c1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol?
The InChIKey is BDQZKDIMUORPSK-NSHDSACASA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-9-7-12(17)8-10(2)16(9)20-14-6-4-5-13(18)15(14)11(3)19/h4-8,11,19H,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol?
(1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol has a molecular weight of 294.75 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol is sourced from PubChem (CID 78944675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).