2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol

C16H22O3 — CID 65351028

IUPAC2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
SMILESOC(CC1CCCCC1)C1COc2ccccc2O1
InChIInChI=1S/C16H22O3/c17-13(10-12-6-2-1-3-7-12)16-11-18-14-8-4-5-9-15(14)19-16/h4-5,8-9,12-13,16-17H,1-3,6-7,10-11H2
InChIKeyXNBDVHONHLNWLJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.16
Rot. Bonds3

About 2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol

2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol (PubChem CID 65351028) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol.

Molecular Properties

Compound Name2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
PubChem CID65351028
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
SMILESOC(CC1CCCCC1)C1COc2ccccc2O1
InChIInChI=1S/C16H22O3/c17-13(10-12-6-2-1-3-7-12)16-11-18-14-8-4-5-9-15(14)19-16/h4-5,8-9,12-13,16-17H,1-3,6-7,10-11H2
InChIKeyXNBDVHONHLNWLJ-UHFFFAOYSA-N
XLogP3.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol?
The IUPAC name of 2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol (CID 65351028) is 2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol.
What is the SMILES notation for 2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol?
The canonical SMILES for 2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol is OC(CC1CCCCC1)C1COc2ccccc2O1.
What is the InChIKey of 2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol?
The InChIKey is XNBDVHONHLNWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c17-13(10-12-6-2-1-3-7-12)16-11-18-14-8-4-5-9-15(14)19-16/h4-5,8-9,12-13,16-17H,1-3,6-7,10-11H2.
What are the key properties of 2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol?
2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol has a molecular weight of 262.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol is sourced from PubChem (CID 65351028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).