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

C17H24O2S — CID 106601084

IUPAC2,3-dihydro-1,4-benzoxathiin-2-yl-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)C2CSc3ccccc3O2)C1
InChIInChI=1S/C17H24O2S/c1-2-12-6-5-7-13(10-12)17(18)15-11-20-16-9-4-3-8-14(16)19-15/h3-4,8-9,12-13,15,17-18H,2,5-7,10-11H2,1H3
InChIKeyGUVPCBBVWLEZPV-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.12
Rot. Bonds3

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

2,3-dihydro-1,4-benzoxathiin-2-yl-(3-ethylcyclohexyl)methanol (PubChem CID 106601084) has the molecular formula C17H24O2S and a molecular weight of 292.44 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzoxathiin-2-yl-(3-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzoxathiin-2-yl-(3-ethylcyclohexyl)methanol
PubChem CID106601084
Molecular FormulaC17H24O2S
Molecular Weight292.44 g/mol
Exact Mass292.15
IUPAC Name2,3-dihydro-1,4-benzoxathiin-2-yl-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)C2CSc3ccccc3O2)C1
InChIInChI=1S/C17H24O2S/c1-2-12-6-5-7-13(10-12)17(18)15-11-20-16-9-4-3-8-14(16)19-15/h3-4,8-9,12-13,15,17-18H,2,5-7,10-11H2,1H3
InChIKeyGUVPCBBVWLEZPV-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-(3-ethylcyclohexyl)methanol
CID 65351079
N-[cyclopentyl(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]propan-1-amine
CID 106601791
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-ethoxyethanol
CID 106601046
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-methylidenepentyl]hydrazine
CID 106602324
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-5-methylhexan-1-ol
CID 106600918
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 106601006
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 106602253
2,3-dihydro-1,4-benzoxathiin-2-yl-(4-ethoxyphenyl)methanol
CID 106600903
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N-ethyl-3-methylidenepentan-1-amine
CID 106601624
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine
CID 106602161
2,3-dihydro-1,4-benzoxathiin-2-yl(thiophen-2-yl)methanol
CID 106600947
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 106601595

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzoxathiin-2-yl-(3-ethylcyclohexyl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzoxathiin-2-yl-(3-ethylcyclohexyl)methanol (CID 106601084) is 2,3-dihydro-1,4-benzoxathiin-2-yl-(3-ethylcyclohexyl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzoxathiin-2-yl-(3-ethylcyclohexyl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzoxathiin-2-yl-(3-ethylcyclohexyl)methanol is CCC1CCCC(C(O)C2CSc3ccccc3O2)C1.
What is the InChIKey of 2,3-dihydro-1,4-benzoxathiin-2-yl-(3-ethylcyclohexyl)methanol?
The InChIKey is GUVPCBBVWLEZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2S/c1-2-12-6-5-7-13(10-12)17(18)15-11-20-16-9-4-3-8-14(16)19-15/h3-4,8-9,12-13,15,17-18H,2,5-7,10-11H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzoxathiin-2-yl-(3-ethylcyclohexyl)methanol?
2,3-dihydro-1,4-benzoxathiin-2-yl-(3-ethylcyclohexyl)methanol has a molecular weight of 292.44 g/mol, XLogP of 4.12, 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-benzoxathiin-2-yl-(3-ethylcyclohexyl)methanol is sourced from PubChem (CID 106601084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).