1-(cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol

C13H20N2O2 — CID 45132544

IUPAC1-(cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol
SMILESOC(COCC1CC=CCC1)Cn1ccnc1
InChIInChI=1S/C13H20N2O2/c16-13(8-15-7-6-14-11-15)10-17-9-12-4-2-1-3-5-12/h1-2,6-7,11-13,16H,3-5,8-10H2
InChIKeyWLCNTRVFLVTYKG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.62
Rot. Bonds6

About 1-(cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol

1-(cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol (PubChem CID 45132544) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol
PubChem CID45132544
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol
SMILESOC(COCC1CC=CCC1)Cn1ccnc1
InChIInChI=1S/C13H20N2O2/c16-13(8-15-7-6-14-11-15)10-17-9-12-4-2-1-3-5-12/h1-2,6-7,11-13,16H,3-5,8-10H2
InChIKeyWLCNTRVFLVTYKG-UHFFFAOYSA-N
XLogP1.62
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-Cyclohexylpropoxy)-3-imidazol-1-ylpropan-2-ol
CID 21423767
1-Cyclohexyloxy-3-imidazol-1-ylpropan-2-ol
CID 21424021
3,7-Dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol
CID 139677203
3,7,11-Trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol
CID 139677218
1-Cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol
CID 178019202
2-[Cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 45207556
1-(2-Imidazol-1-ylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 61462710
1-[(6-Methylcyclohex-3-en-1-yl)methoxy]-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295875
Cyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol
CID 63975154
Cyclohex-3-en-1-yl-(1-propylimidazol-2-yl)methanol
CID 63976693
Cyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol
CID 63976888
1-Cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol
CID 79744425

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol (CID 45132544) is 1-(cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol is OC(COCC1CC=CCC1)Cn1ccnc1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol?
The InChIKey is WLCNTRVFLVTYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-13(8-15-7-6-14-11-15)10-17-9-12-4-2-1-3-5-12/h1-2,6-7,11-13,16H,3-5,8-10H2.
What are the key properties of 1-(cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol?
1-(cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 45132544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).