(1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol

C13H12ClNO2 — CID 64600997

IUPAC(1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2cncc(Cl)c2)cc1
InChIInChI=1S/C13H12ClNO2/c1-9(16)10-2-4-12(5-3-10)17-13-6-11(14)7-15-8-13/h2-9,16H,1H3/t9-/m1/s1
InChIKeyFDNZEBNCICYGFO-SECBINFHSA-N
MW249.70 g/mol
LogP3.58
Rot. Bonds3

About (1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol

(1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol (PubChem CID 64600997) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is (1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
PubChem CID64600997
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name(1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2cncc(Cl)c2)cc1
InChIInChI=1S/C13H12ClNO2/c1-9(16)10-2-4-12(5-3-10)17-13-6-11(14)7-15-8-13/h2-9,16H,1H3/t9-/m1/s1
InChIKeyFDNZEBNCICYGFO-SECBINFHSA-N
XLogP3.58
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
(1S)-1-(5-chloro-3-pyridinyl)ethanol
CID 171991494
1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
CID 82970681
(1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol
CID 78996799
1-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 114069448
(1S)-1-[4-(4-methoxyphenoxy)phenyl]ethanol
CID 63372514
(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol
CID 78941782
3-[(5-chloro-3-pyridinyl)oxy]-6-methoxypyridazine
CID 134124576
1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83120272
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline
CID 22148760
(1R)-1-(4-pyrazin-2-yloxyphenyl)ethanol
CID 7101331

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol (CID 64600997) is (1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol is C[C@@H](O)c1ccc(Oc2cncc(Cl)c2)cc1.
What is the InChIKey of (1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol?
The InChIKey is FDNZEBNCICYGFO-SECBINFHSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-9(16)10-2-4-12(5-3-10)17-13-6-11(14)7-15-8-13/h2-9,16H,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol?
(1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol has a molecular weight of 249.70 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol is sourced from PubChem (CID 64600997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).