1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol

C14H11ClF2O2 — CID 116689382

IUPAC1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
SMILESCC(O)c1cc(F)ccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C14H11ClF2O2/c1-8(18)10-7-9(16)5-6-12(10)19-13-4-2-3-11(15)14(13)17/h2-8,18H,1H3
InChIKeyOOMGZLCQEPCUJP-UHFFFAOYSA-N
MW284.69 g/mol
LogP4.46
Rot. Bonds3

About 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol

1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol (PubChem CID 116689382) has the molecular formula C14H11ClF2O2 and a molecular weight of 284.69 g/mol. Its IUPAC name is 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
PubChem CID116689382
Molecular FormulaC14H11ClF2O2
Molecular Weight284.69 g/mol
Exact Mass284.04
IUPAC Name1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
SMILESCC(O)c1cc(F)ccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C14H11ClF2O2/c1-8(18)10-7-9(16)5-6-12(10)19-13-4-2-3-11(15)14(13)17/h2-8,18H,1H3
InChIKeyOOMGZLCQEPCUJP-UHFFFAOYSA-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

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Related Compounds

(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
CID 55184876
(1R)-1-[2-(2,4-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 63372482
(1R)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanol
CID 63374690
(1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 55183586
(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78941796
(1S)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanol
CID 104892683
(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol
CID 78955958
(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol
CID 107717355
3-(3-chloro-2-fluorophenoxy)-4-(1-hydroxyethyl)benzonitrile
CID 116689378
(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
CID 78941416
1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970752
(1R)-1-(5-fluoro-2-phenoxyphenyl)ethanol
CID 78941630

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol (CID 116689382) is 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol is CC(O)c1cc(F)ccc1Oc1cccc(Cl)c1F.
What is the InChIKey of 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol?
The InChIKey is OOMGZLCQEPCUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O2/c1-8(18)10-7-9(16)5-6-12(10)19-13-4-2-3-11(15)14(13)17/h2-8,18H,1H3.
What are the key properties of 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol?
1-[2-(3-chloro-2-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 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol is sourced from PubChem (CID 116689382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).