2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol

C15H16ClNO3 — CID 105121340

IUPAC2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
SMILESCCOc1cncc(C(O)COc2cccc(Cl)c2)c1
InChIInChI=1S/C15H16ClNO3/c1-2-19-14-6-11(8-17-9-14)15(18)10-20-13-5-3-4-12(16)7-13/h3-9,15,18H,2,10H2,1H3
InChIKeyQMWNMQKUGJARML-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.25
Rot. Bonds6

About 2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol

2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol (PubChem CID 105121340) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
PubChem CID105121340
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
SMILESCCOc1cncc(C(O)COc2cccc(Cl)c2)c1
InChIInChI=1S/C15H16ClNO3/c1-2-19-14-6-11(8-17-9-14)15(18)10-20-13-5-3-4-12(16)7-13/h3-9,15,18H,2,10H2,1H3
InChIKeyQMWNMQKUGJARML-UHFFFAOYSA-N
XLogP3.25
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
CID 105079210
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
CID 117244629
[2-(3-chlorophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
CID 105237899
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 105095527
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol
CID 64601162
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol
CID 62336547
[2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine
CID 105292048

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol?
The IUPAC name of 2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol (CID 105121340) is 2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol is CCOc1cncc(C(O)COc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol?
The InChIKey is QMWNMQKUGJARML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-2-19-14-6-11(8-17-9-14)15(18)10-20-13-5-3-4-12(16)7-13/h3-9,15,18H,2,10H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol?
2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol has a molecular weight of 293.75 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol is sourced from PubChem (CID 105121340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).