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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
CID 22819017
1-(2,3-dihydro-1,4-benzodioxin-3-yl)but-3-en-1-ol
CID 65350923
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]ethanol
CID 12855736
2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol
CID 65351079
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-methylbutan-1-ol
CID 65351243
[cyclohexyl(2,3-dihydro-1,4-benzodioxin-3-yl)methyl]hydrazine
CID 105230206
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(oxan-4-yl)ethanamine
CID 65352240
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-hydroxyethylamino)ethanol
CID 26138
3-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]propan-1-ol
CID 26139
(1R)-2-(butylamino)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
CID 125480076
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol
CID 114013464
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 65351512

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).