2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol

C17H13FO2S — CID 105129629

IUPAC2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cc(F)ccc2o1)C1Cc2ccccc2S1
InChIInChI=1S/C17H13FO2S/c18-12-5-6-13-11(7-12)8-14(20-13)17(19)16-9-10-3-1-2-4-15(10)21-16/h1-8,16-17,19H,9H2
InChIKeyNCUGHQUZFNLTNB-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.32
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol

2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 105129629) has the molecular formula C17H13FO2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol
PubChem CID105129629
Molecular FormulaC17H13FO2S
Molecular Weight300.35 g/mol
Exact Mass300.06
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cc(F)ccc2o1)C1Cc2ccccc2S1
InChIInChI=1S/C17H13FO2S/c18-12-5-6-13-11(7-12)8-14(20-13)17(19)16-9-10-3-1-2-4-15(10)21-16/h1-8,16-17,19H,9H2
InChIKeyNCUGHQUZFNLTNB-UHFFFAOYSA-N
XLogP4.32
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol
CID 105093619
(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 107005479
2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine
CID 105087837
(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105113739
1-(5-fluoro-1-benzofuran-2-yl)-2-(2-fluorophenyl)ethanol
CID 114726361
2,3-dihydro-1H-inden-2-yl-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114725484
(5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
CID 114724078
2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol
CID 105091980
(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 105145502
(3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105132379
(3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114724257
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol (CID 105129629) is 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol is OC(c1cc2cc(F)ccc2o1)C1Cc2ccccc2S1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is NCUGHQUZFNLTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO2S/c18-12-5-6-13-11(7-12)8-14(20-13)17(19)16-9-10-3-1-2-4-15(10)21-16/h1-8,16-17,19H,9H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol?
2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 300.35 g/mol, XLogP of 4.32, 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-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 105129629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).