2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol

C17H16O2S — CID 105132247

IUPAC2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol
SMILESOC(c1cccc2c1OCC2)C1CSc2ccccc21
InChIInChI=1S/C17H16O2S/c18-16(13-6-3-4-11-8-9-19-17(11)13)14-10-20-15-7-2-1-5-12(14)15/h1-7,14,16,18H,8-10H2
InChIKeyQDNSLBSOHBSLSL-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.54
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol

2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol (PubChem CID 105132247) has the molecular formula C17H16O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol
PubChem CID105132247
Molecular FormulaC17H16O2S
Molecular Weight284.38 g/mol
Exact Mass284.09
IUPAC Name2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol
SMILESOC(c1cccc2c1OCC2)C1CSc2ccccc21
InChIInChI=1S/C17H16O2S/c18-16(13-6-3-4-11-8-9-19-17(11)13)14-10-20-15-7-2-1-5-12(14)15/h1-7,14,16,18H,8-10H2
InChIKeyQDNSLBSOHBSLSL-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187280
2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol
CID 114744588
3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105130614
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol
CID 115838946
(2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105397717
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol
CID 114744695
[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 106657550
2,3-dihydro-1-benzofuran-7-yl(naphthalen-1-yl)methanol
CID 114743291
3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol
CID 115837861

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol (CID 105132247) is 2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol is OC(c1cccc2c1OCC2)C1CSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The InChIKey is QDNSLBSOHBSLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2S/c18-16(13-6-3-4-11-8-9-19-17(11)13)14-10-20-15-7-2-1-5-12(14)15/h1-7,14,16,18H,8-10H2.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol?
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol has a molecular weight of 284.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 105132247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).