2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol

C13H15ClN2O2 — CID 105098116

IUPAC2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol
SMILESCCn1nccc1C(O)COc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c1-2-16-12(6-7-15-16)13(17)9-18-11-5-3-4-10(14)8-11/h3-8,13,17H,2,9H2,1H3
InChIKeyBDRXMYNDQQJWBE-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.67
Rot. Bonds5

About 2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol

2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol (PubChem CID 105098116) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol
PubChem CID105098116
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol
SMILESCCn1nccc1C(O)COc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c1-2-16-12(6-7-15-16)13(17)9-18-11-5-3-4-10(14)8-11/h3-8,13,17H,2,9H2,1H3
InChIKeyBDRXMYNDQQJWBE-UHFFFAOYSA-N
XLogP2.67
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
CID 105307108
1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol
CID 105109087
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol
CID 105132612
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 63976359
(3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63975299
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
CID 105079210
[1-(2-ethylpyrazol-3-yl)-2-phenoxyethyl]hydrazine
CID 105213049
2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
CID 105121340
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol (CID 105098116) is 2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol is CCn1nccc1C(O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol?
The InChIKey is BDRXMYNDQQJWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-2-16-12(6-7-15-16)13(17)9-18-11-5-3-4-10(14)8-11/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol?
2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol has a molecular weight of 266.73 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 105098116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).