(1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol

C14H11Cl2FO2 — CID 55185227

IUPAC(1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2FO2/c1-8(18)13-10(17)5-3-6-11(13)19-12-7-2-4-9(15)14(12)16/h2-8,18H,1H3/t8-/m0/s1
InChIKeyRRCAUYPTGOQFSV-QMMMGPOBSA-N
MW301.14 g/mol
LogP4.98
Rot. Bonds3

About (1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol

(1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol (PubChem CID 55185227) has the molecular formula C14H11Cl2FO2 and a molecular weight of 301.14 g/mol. Its IUPAC name is (1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol
PubChem CID55185227
Molecular FormulaC14H11Cl2FO2
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name(1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2FO2/c1-8(18)13-10(17)5-3-6-11(13)19-12-7-2-4-9(15)14(12)16/h2-8,18H,1H3/t8-/m0/s1
InChIKeyRRCAUYPTGOQFSV-QMMMGPOBSA-N
XLogP4.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol
CID 63540335
(1R)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659058
(1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659074
(1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78944675
1-[2-fluoro-6-(2-methylphenoxy)phenyl]ethanol
CID 43506466
1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
CID 43506537
(1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941712
1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506529
(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol
CID 78941643
1-[2-fluoro-6-(4-fluorophenoxy)phenyl]ethanol
CID 43506471
1-(2-fluoro-6-naphthalen-1-yloxyphenyl)ethanol
CID 43506509
1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 64854056

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol (CID 55185227) is (1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol is C[C@H](O)c1c(F)cccc1Oc1cccc(Cl)c1Cl.
What is the InChIKey of (1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol?
The InChIKey is RRCAUYPTGOQFSV-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H11Cl2FO2/c1-8(18)13-10(17)5-3-6-11(13)19-12-7-2-4-9(15)14(12)16/h2-8,18H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol?
(1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol has a molecular weight of 301.14 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol is sourced from PubChem (CID 55185227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).