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

C13H12ClNO2 — CID 107712373

IUPAC2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol
SMILESOCCc1ccccc1Oc1ccnc(Cl)c1
InChIInChI=1S/C13H12ClNO2/c14-13-9-11(5-7-15-13)17-12-4-2-1-3-10(12)6-8-16/h1-5,7,9,16H,6,8H2
InChIKeyKFIZCTBXTIEDFH-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.06
Rot. Bonds4

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

2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol (PubChem CID 107712373) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol
PubChem CID107712373
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol
SMILESOCCc1ccccc1Oc1ccnc(Cl)c1
InChIInChI=1S/C13H12ClNO2/c14-13-9-11(5-7-15-13)17-12-4-2-1-3-10(12)6-8-16/h1-5,7,9,16H,6,8H2
InChIKeyKFIZCTBXTIEDFH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(2-methoxyphenoxy)pyridine
CID 63777956
2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol
CID 107713784
3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 107714129
methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate
CID 86634716
2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol
CID 107711711
2-chloro-4-(2-prop-1-enylphenoxy)pyridine
CID 77005915
2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107712098
8-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 63777963
2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol
CID 107712031
2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol
CID 107712360
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107712390
2-[2-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol
CID 107711772

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol?
The IUPAC name of 2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol (CID 107712373) is 2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol is OCCc1ccccc1Oc1ccnc(Cl)c1.
What is the InChIKey of 2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol?
The InChIKey is KFIZCTBXTIEDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-13-9-11(5-7-15-13)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-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol?
2-[2-[(2-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-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol is sourced from PubChem (CID 107712373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).