(1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol

C13H11ClFNO2 — CID 78996799

IUPAC(1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C13H11ClFNO2/c1-8(17)12-5-10(15)2-3-13(12)18-11-4-9(14)6-16-7-11/h2-8,17H,1H3/t8-/m0/s1
InChIKeyCBNZUVKLAFAHLN-QMMMGPOBSA-N
MW267.69 g/mol
LogP3.72
Rot. Bonds3

About (1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol

(1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol (PubChem CID 78996799) has the molecular formula C13H11ClFNO2 and a molecular weight of 267.69 g/mol. Its IUPAC name is (1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol
PubChem CID78996799
Molecular FormulaC13H11ClFNO2
Molecular Weight267.69 g/mol
Exact Mass267.05
IUPAC Name(1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C13H11ClFNO2/c1-8(17)12-5-10(15)2-3-13(12)18-11-4-9(14)6-16-7-11/h2-8,17H,1H3/t8-/m0/s1
InChIKeyCBNZUVKLAFAHLN-QMMMGPOBSA-N
XLogP3.72
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-fluoro-2-phenoxyphenyl)ethanol
CID 78941630
(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
CID 55184876
(1R)-1-[2-(2,4-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 63372482
1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
CID 82970681
(1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 55183586
(1R)-1-(5-fluoro-2-quinolin-3-yloxyphenyl)ethanol
CID 107387519
2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile
CID 64602529
(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 78996800
(1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
CID 64600997
(1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 55185417
1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol
CID 43506465
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
CID 116689382

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol (CID 78996799) is (1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol is C[C@H](O)c1cc(F)ccc1Oc1cncc(Cl)c1.
What is the InChIKey of (1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol?
The InChIKey is CBNZUVKLAFAHLN-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H11ClFNO2/c1-8(17)12-5-10(15)2-3-13(12)18-11-4-9(14)6-16-7-11/h2-8,17H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol?
(1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol has a molecular weight of 267.69 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol is sourced from PubChem (CID 78996799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).