4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol

C12H16Cl2N2O2 — CID 174187752

IUPAC4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol
SMILESOC1CCC(CCOc2nc(Cl)ncc2Cl)CC1
InChIInChI=1S/C12H16Cl2N2O2/c13-10-7-15-12(14)16-11(10)18-6-5-8-1-3-9(17)4-2-8/h7-9,17H,1-6H2
InChIKeyLVZOHDGUSYBMJD-UHFFFAOYSA-N
MW291.18 g/mol
LogP3.10
Rot. Bonds4

About 4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol

4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol (PubChem CID 174187752) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol
PubChem CID174187752
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol
SMILESOC1CCC(CCOc2nc(Cl)ncc2Cl)CC1
InChIInChI=1S/C12H16Cl2N2O2/c13-10-7-15-12(14)16-11(10)18-6-5-8-1-3-9(17)4-2-8/h7-9,17H,1-6H2
InChIKeyLVZOHDGUSYBMJD-UHFFFAOYSA-N
XLogP3.10
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol (CID 174187752) is 4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol is OC1CCC(CCOc2nc(Cl)ncc2Cl)CC1.
What is the InChIKey of 4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol?
The InChIKey is LVZOHDGUSYBMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c13-10-7-15-12(14)16-11(10)18-6-5-8-1-3-9(17)4-2-8/h7-9,17H,1-6H2.
What are the key properties of 4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol?
4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol has a molecular weight of 291.18 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol is sourced from PubChem (CID 174187752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).