1-cyclohexyloxy-3-(2-methylimidazol-1-yl)propan-2-ol

C13H22N2O2 — CID 655313

IUPAC1-cyclohexyloxy-3-(2-methylimidazol-1-yl)propan-2-ol
SMILESCc1nccn1CC(O)COC1CCCCC1
InChIInChI=1S/C13H22N2O2/c1-11-14-7-8-15(11)9-12(16)10-17-13-5-3-2-4-6-13/h7-8,12-13,16H,2-6,9-10H2,1H3
InChIKeyXDCMYKKSQPXGOY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.90
Rot. Bonds5

About 1-cyclohexyloxy-3-(2-methylimidazol-1-yl)propan-2-ol

1-cyclohexyloxy-3-(2-methylimidazol-1-yl)propan-2-ol (PubChem CID 655313) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-(2-methylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-(2-methylimidazol-1-yl)propan-2-ol
PubChem CID655313
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-cyclohexyloxy-3-(2-methylimidazol-1-yl)propan-2-ol
SMILESCc1nccn1CC(O)COC1CCCCC1
InChIInChI=1S/C13H22N2O2/c1-11-14-7-8-15(11)9-12(16)10-17-13-5-3-2-4-6-13/h7-8,12-13,16H,2-6,9-10H2,1H3
InChIKeyXDCMYKKSQPXGOY-UHFFFAOYSA-N
XLogP1.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-(2-methylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-(2-methylimidazol-1-yl)propan-2-ol (CID 655313) is 1-cyclohexyloxy-3-(2-methylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-(2-methylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-(2-methylimidazol-1-yl)propan-2-ol is Cc1nccn1CC(O)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-(2-methylimidazol-1-yl)propan-2-ol?
The InChIKey is XDCMYKKSQPXGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11-14-7-8-15(11)9-12(16)10-17-13-5-3-2-4-6-13/h7-8,12-13,16H,2-6,9-10H2,1H3.
What are the key properties of 1-cyclohexyloxy-3-(2-methylimidazol-1-yl)propan-2-ol?
1-cyclohexyloxy-3-(2-methylimidazol-1-yl)propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-(2-methylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 655313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).