2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol

C13H12ClNO2 — CID 107713784

IUPAC2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol
SMILESOCCc1ccccc1Oc1ccncc1Cl
InChIInChI=1S/C13H12ClNO2/c14-11-9-15-7-5-13(11)17-12-4-2-1-3-10(12)6-8-16/h1-5,7,9,16H,6,8H2
InChIKeyMAAANJUZYODGCG-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.06
Rot. Bonds4

About 2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol

2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol (PubChem CID 107713784) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol
PubChem CID107713784
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol
SMILESOCCc1ccccc1Oc1ccncc1Cl
InChIInChI=1S/C13H12ClNO2/c14-11-9-15-7-5-13(11)17-12-4-2-1-3-10(12)6-8-16/h1-5,7,9,16H,6,8H2
InChIKeyMAAANJUZYODGCG-UHFFFAOYSA-N
XLogP3.06
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[4-(hydroxymethyl)-3-pyridinyl]oxy]phenyl]ethanol
CID 107713866
3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide
CID 107712652
2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol
CID 107712373
3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 107714129
2-[2-[(3-methyl-4-pyridinyl)oxy]phenyl]acetic acid
CID 80742147
4-(2-chlorophenoxy)pyridin-3-amine
CID 28890150
[4-(2-iodophenoxy)-3-pyridinyl]methanol
CID 81237584
2-[2-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol
CID 107711772
[3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 105067223
2-[2-[(3-bromo-5-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107713700
[2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol
CID 107713386
(4-phenoxy-3-pyridinyl)methanol
CID 67434840

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol?
The IUPAC name of 2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol (CID 107713784) is 2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol is OCCc1ccccc1Oc1ccncc1Cl.
What is the InChIKey of 2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol?
The InChIKey is MAAANJUZYODGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-11-9-15-7-5-13(11)17-12-4-2-1-3-10(12)6-8-16/h1-5,7,9,16H,6,8H2.
What are the key properties of 2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol?
2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol has a molecular weight of 249.70 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol is sourced from PubChem (CID 107713784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).