2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol

C17H24O3 — CID 65351079

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)C2COc3ccccc3O2)C1
InChIInChI=1S/C17H24O3/c1-2-12-6-5-7-13(10-12)17(18)16-11-19-14-8-3-4-9-15(14)20-16/h3-4,8-9,12-13,16-18H,2,5-7,10-11H2,1H3
InChIKeyCMGGXGHNWUPUPO-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.40
Rot. Bonds3

About 2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol

2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol (PubChem CID 65351079) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol
PubChem CID65351079
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)C2COc3ccccc3O2)C1
InChIInChI=1S/C17H24O3/c1-2-12-6-5-7-13(10-12)17(18)16-11-19-14-8-3-4-9-15(14)20-16/h3-4,8-9,12-13,16-18H,2,5-7,10-11H2,1H3
InChIKeyCMGGXGHNWUPUPO-UHFFFAOYSA-N
XLogP3.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzoxathiin-2-yl-(3-ethylcyclohexyl)methanol
CID 106601084
2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
CID 65351028
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol
CID 114013464
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
(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
CID 22819017
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclopentan-1-amine
CID 64502068
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
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 65351512
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(oxan-4-yl)ethanamine
CID 65352240
(2S)-1-[[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]amino]-3-(propan-2-ylamino)propan-2-ol
CID 124776136
3-(1-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 91622126

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol (CID 65351079) is 2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol is CCC1CCCC(C(O)C2COc3ccccc3O2)C1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol?
The InChIKey is CMGGXGHNWUPUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-2-12-6-5-7-13(10-12)17(18)16-11-19-14-8-3-4-9-15(14)20-16/h3-4,8-9,12-13,16-18H,2,5-7,10-11H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol?
2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol has a molecular weight of 276.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol is sourced from PubChem (CID 65351079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).