3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol

C17H24O3 — CID 61087676

IUPAC3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
SMILESOC(CCC1CCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H24O3/c18-15(8-6-13-4-2-1-3-5-13)14-7-9-16-17(12-14)20-11-10-19-16/h7,9,12-13,15,18H,1-6,8,10-11H2
InChIKeyTZOYUSCFIHJLSC-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.85
Rot. Bonds4

About 3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol

3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol (PubChem CID 61087676) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
PubChem CID61087676
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
SMILESOC(CCC1CCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H24O3/c18-15(8-6-13-4-2-1-3-5-13)14-7-9-16-17(12-14)20-11-10-19-16/h7,9,12-13,15,18H,1-6,8,10-11H2
InChIKeyTZOYUSCFIHJLSC-UHFFFAOYSA-N
XLogP3.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol
CID 63427036
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1-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diol
CID 45122033
cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
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3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 65184600
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5,5-trifluoropentan-1-ol
CID 115515355
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CID 115792765
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
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1-(4-chlorophenyl)-3-cyclohexylpropan-1-ol
CID 55197705
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 60920129
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 95054921
1-[4-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxybutan-2-yl]-3-naphthalen-2-ylurea
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol?
The IUPAC name of 3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol (CID 61087676) is 3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol.
What is the SMILES notation for 3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol?
The canonical SMILES for 3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol is OC(CCC1CCCCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol?
The InChIKey is TZOYUSCFIHJLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c18-15(8-6-13-4-2-1-3-5-13)14-7-9-16-17(12-14)20-11-10-19-16/h7,9,12-13,15,18H,1-6,8,10-11H2.
What are the key properties of 3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol?
3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol has a molecular weight of 276.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol is sourced from PubChem (CID 61087676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).