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

C23H26Cl2N2O2 — CID 57443271

IUPAC2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]propan-1-ol
SMILESCc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1C(C)CO
InChIInChI=1S/C23H26Cl2N2O2/c1-14(2)19-11-26-27(23-20(24)6-5-7-21(23)25)22(19)13-29-17-8-9-18(15(3)10-17)16(4)12-28/h5-11,14,16,28H,12-13H2,1-4H3
InChIKeyHVLBHEVMLUZDMH-UHFFFAOYSA-N
MW433.38 g/mol
LogP6.29
Rot. Bonds7

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

2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]propan-1-ol (PubChem CID 57443271) has the molecular formula C23H26Cl2N2O2 and a molecular weight of 433.38 g/mol. Its IUPAC name is 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]propan-1-ol
PubChem CID57443271
Molecular FormulaC23H26Cl2N2O2
Molecular Weight433.38 g/mol
Exact Mass432.14
IUPAC Name2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]propan-1-ol
SMILESCc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1C(C)CO
InChIInChI=1S/C23H26Cl2N2O2/c1-14(2)19-11-26-27(23-20(24)6-5-7-21(23)25)22(19)13-29-17-8-9-18(15(3)10-17)16(4)12-28/h5-11,14,16,28H,12-13H2,1-4H3
InChIKeyHVLBHEVMLUZDMH-UHFFFAOYSA-N
XLogP6.29
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 56.29
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]propan-1-ol?
The IUPAC name of 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]propan-1-ol (CID 57443271) is 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]propan-1-ol.
What is the SMILES notation for 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]propan-1-ol?
The canonical SMILES for 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]propan-1-ol is Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1C(C)CO.
What is the InChIKey of 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]propan-1-ol?
The InChIKey is HVLBHEVMLUZDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O2/c1-14(2)19-11-26-27(23-20(24)6-5-7-21(23)25)22(19)13-29-17-8-9-18(15(3)10-17)16(4)12-28/h5-11,14,16,28H,12-13H2,1-4H3.
What are the key properties of 2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]propan-1-ol?
2-[4-[[1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazol-5-yl]methoxy]-2-methylphenyl]propan-1-ol has a molecular weight of 433.38 g/mol, XLogP of 6.29, 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]propan-1-ol is sourced from PubChem (CID 57443271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).