(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol

C14H11ClF2O2 — CID 55184876

IUPAC(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C14H11ClF2O2/c1-8(18)11-6-9(16)2-4-13(11)19-14-5-3-10(17)7-12(14)15/h2-8,18H,1H3/t8-/m0/s1
InChIKeyGSUQRVYRAJYMAK-QMMMGPOBSA-N
MW284.69 g/mol
LogP4.46
Rot. Bonds3

About (1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol

(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol (PubChem CID 55184876) has the molecular formula C14H11ClF2O2 and a molecular weight of 284.69 g/mol. Its IUPAC name is (1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
PubChem CID55184876
Molecular FormulaC14H11ClF2O2
Molecular Weight284.69 g/mol
Exact Mass284.04
IUPAC Name(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C14H11ClF2O2/c1-8(18)11-6-9(16)2-4-13(11)19-14-5-3-10(17)7-12(14)15/h2-8,18H,1H3/t8-/m0/s1
InChIKeyGSUQRVYRAJYMAK-QMMMGPOBSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[2-(2,4-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 63372482
(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
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
CID 116689382
(1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 55183586
1-[4-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970825
(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol
CID 78955958
1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 43506272
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanol
CID 63540649
(1S)-1-[4-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 63374529
(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
CID 78941416

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol (CID 55184876) is (1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol is C[C@H](O)c1cc(F)ccc1Oc1ccc(F)cc1Cl.
What is the InChIKey of (1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol?
The InChIKey is GSUQRVYRAJYMAK-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H11ClF2O2/c1-8(18)11-6-9(16)2-4-13(11)19-14-5-3-10(17)7-12(14)15/h2-8,18H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol?
(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol has a molecular weight of 284.69 g/mol, XLogP of 4.46, 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-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol is sourced from PubChem (CID 55184876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).