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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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).