2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol

C15H20O2S2 — CID 104542458

IUPAC2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol
SMILESCCC1SCCSC1C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H20O2S2/c1-2-13-15(19-8-7-18-13)14(16)11-3-4-12-10(9-11)5-6-17-12/h3-4,9,13-16H,2,5-8H2,1H3
InChIKeyBOMVUXJSERTGDL-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.28
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol

2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol (PubChem CID 104542458) has the molecular formula C15H20O2S2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol
PubChem CID104542458
Molecular FormulaC15H20O2S2
Molecular Weight296.46 g/mol
Exact Mass296.09
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol
SMILESCCC1SCCSC1C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H20O2S2/c1-2-13-15(19-8-7-18-13)14(16)11-3-4-12-10(9-11)5-6-17-12/h3-4,9,13-16H,2,5-8H2,1H3
InChIKeyBOMVUXJSERTGDL-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol
CID 64750297
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol
CID 63976111
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol
CID 66039061
2,3-dihydro-1-benzofuran-5-yl(piperidin-4-yl)methanol
CID 43146493
2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol
CID 106828274
(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 63426478
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
3-(2,3-dihydro-1-benzofuran-5-yl)-3-hydroxy-2-methylpropanenitrile
CID 79131894

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol (CID 104542458) is 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol is CCC1SCCSC1C(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol?
The InChIKey is BOMVUXJSERTGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S2/c1-2-13-15(19-8-7-18-13)14(16)11-3-4-12-10(9-11)5-6-17-12/h3-4,9,13-16H,2,5-8H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol?
2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol has a molecular weight of 296.46 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol is sourced from PubChem (CID 104542458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).