2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol

C17H30O3 — CID 163128763

IUPAC2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol
SMILESCOC1C(C)C(O)CC2OC(C3CCCCC3)CCC21
InChIInChI=1S/C17H30O3/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12/h11-18H,3-10H2,1-2H3
InChIKeyLZPUPUTUIYIYGW-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.15
Rot. Bonds2

About 2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol

2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol (PubChem CID 163128763) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol.

Molecular Properties

Compound Name2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol
PubChem CID163128763
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol
SMILESCOC1C(C)C(O)CC2OC(C3CCCCC3)CCC21
InChIInChI=1S/C17H30O3/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12/h11-18H,3-10H2,1-2H3
InChIKeyLZPUPUTUIYIYGW-UHFFFAOYSA-N
XLogP3.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol with MolForge

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Related Compounds

2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol
CID 82406500
(8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 138598662
4-cycloheptyl-8-oxabicyclo[5.1.0]octane
CID 54192713
9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene
CID 71338835
(2R,3aR,6aS)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4,5-diol
CID 10511417
(1R)-2-cyclohexylcyclohexan-1-ol
CID 130125210
2-cyclooctylcyclohexan-1-ol
CID 22359607
(1R,2R,8S,9R)-9-methylbicyclo[6.1.0]nonan-2-ol
CID 13110212
6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane
CID 167079205
(1S,2S,3aR,7aR)-1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;cyclohexane
CID 90841263
3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol
CID 586626
(3aS,6aR)-2-cyclohexyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ol
CID 10798599

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol?
The IUPAC name of 2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol (CID 163128763) is 2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol.
What is the SMILES notation for 2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol?
The canonical SMILES for 2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol is COC1C(C)C(O)CC2OC(C3CCCCC3)CCC21.
What is the InChIKey of 2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol?
The InChIKey is LZPUPUTUIYIYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12/h11-18H,3-10H2,1-2H3.
What are the key properties of 2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol?
2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol has a molecular weight of 282.42 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methoxy-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-ol is sourced from PubChem (CID 163128763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).