(1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol

C14H11Cl2FO2 — CID 55183586

IUPAC(1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2FO2/c1-8(18)11-7-10(17)3-5-13(11)19-14-6-9(15)2-4-12(14)16/h2-8,18H,1H3/t8-/m0/s1
InChIKeyCGTKSCNAEOVSKT-QMMMGPOBSA-N
MW301.14 g/mol
LogP4.98
Rot. Bonds3

About (1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol

(1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol (PubChem CID 55183586) has the molecular formula C14H11Cl2FO2 and a molecular weight of 301.14 g/mol. Its IUPAC name is (1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol
PubChem CID55183586
Molecular FormulaC14H11Cl2FO2
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name(1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2FO2/c1-8(18)11-7-10(17)3-5-13(11)19-14-6-9(15)2-4-12(14)16/h2-8,18H,1H3/t8-/m0/s1
InChIKeyCGTKSCNAEOVSKT-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-(2,4-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 63372482
(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol
CID 78955958
(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
CID 55184876
1-[5-bromo-2-(2,5-dichlorophenoxy)phenyl]ethanol
CID 82970963
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
CID 116689382
(1R)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanol
CID 63374690
(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78941796
1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970752
(1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol
CID 78996799
1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol
CID 82970318
(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
CID 78941416
(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol
CID 102616518

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol (CID 55183586) is (1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol is C[C@H](O)c1cc(F)ccc1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of (1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol?
The InChIKey is CGTKSCNAEOVSKT-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H11Cl2FO2/c1-8(18)11-7-10(17)3-5-13(11)19-14-6-9(15)2-4-12(14)16/h2-8,18H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol?
(1S)-1-[2-(2,5-dichlorophenoxy)-5-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-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol is sourced from PubChem (CID 55183586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).