2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol

C14H16Cl2N2O2 — CID 105128173

IUPAC2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol
SMILESCC(C)n1ncc(Cl)c1C(O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H16Cl2N2O2/c1-9(2)18-14(12(16)7-17-18)13(19)8-20-11-5-3-10(15)4-6-11/h3-7,9,13,19H,8H2,1-2H3
InChIKeyHQAFTOHQTAGRRN-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.88
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol

2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol (PubChem CID 105128173) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol
PubChem CID105128173
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol
SMILESCC(C)n1ncc(Cl)c1C(O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H16Cl2N2O2/c1-9(2)18-14(12(16)7-17-18)13(19)8-20-11-5-3-10(15)4-6-11/h3-7,9,13,19H,8H2,1-2H3
InChIKeyHQAFTOHQTAGRRN-UHFFFAOYSA-N
XLogP3.88
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol
CID 114644194
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635180
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635606
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-ethoxybutan-1-ol
CID 105128291
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol
CID 114643493
2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114642942
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835241
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol
CID 105132612
(2-bromo-3,4-difluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 107538287
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 114634816
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 164658431
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methanol
CID 114635272

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol?
The IUPAC name of 2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol (CID 105128173) is 2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol is CC(C)n1ncc(Cl)c1C(O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol?
The InChIKey is HQAFTOHQTAGRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-9(2)18-14(12(16)7-17-18)13(19)8-20-11-5-3-10(15)4-6-11/h3-7,9,13,19H,8H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol?
2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol has a molecular weight of 315.20 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol is sourced from PubChem (CID 105128173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).