2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]ethanol

C22H24Cl2N2O2 — CID 67527775

IUPAC2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]ethanol
SMILESCc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1CCO
InChIInChI=1S/C22H24Cl2N2O2/c1-14(2)18-12-25-26(22-19(23)5-4-6-20(22)24)21(18)13-28-17-8-7-16(9-10-27)15(3)11-17/h4-8,11-12,14,27H,9-10,13H2,1-3H3
InChIKeyLZQRFBGUFREYIK-UHFFFAOYSA-N
MW419.35 g/mol
LogP5.72
Rot. Bonds7

About 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]ethanol

2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]ethanol (PubChem CID 67527775) has the molecular formula C22H24Cl2N2O2 and a molecular weight of 419.35 g/mol. Its IUPAC name is 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]ethanol
PubChem CID67527775
Molecular FormulaC22H24Cl2N2O2
Molecular Weight419.35 g/mol
Exact Mass418.12
IUPAC Name2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]ethanol
SMILESCc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1CCO
InChIInChI=1S/C22H24Cl2N2O2/c1-14(2)18-12-25-26(22-19(23)5-4-6-20(22)24)21(18)13-28-17-8-7-16(9-10-27)15(3)11-17/h4-8,11-12,14,27H,9-10,13H2,1-3H3
InChIKeyLZQRFBGUFREYIK-UHFFFAOYSA-N
XLogP5.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.35
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]ethanol?
The IUPAC name of 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]ethanol (CID 67527775) is 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]ethanol.
What is the SMILES notation for 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]ethanol?
The canonical SMILES for 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]ethanol is Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1CCO.
What is the InChIKey of 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]ethanol?
The InChIKey is LZQRFBGUFREYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O2/c1-14(2)18-12-25-26(22-19(23)5-4-6-20(22)24)21(18)13-28-17-8-7-16(9-10-27)15(3)11-17/h4-8,11-12,14,27H,9-10,13H2,1-3H3.
What are the key properties of 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]ethanol?
2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]ethanol has a molecular weight of 419.35 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]ethanol is sourced from PubChem (CID 67527775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).