[7-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol

C16H13FOS — CID 131986418

IUPAC[7-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol
SMILESCc1ccccc1-c1csc2c(F)cc(CO)cc12
InChIInChI=1S/C16H13FOS/c1-10-4-2-3-5-12(10)14-9-19-16-13(14)6-11(8-18)7-15(16)17/h2-7,9,18H,8H2,1H3
InChIKeyQSXUBTIVDSZLSC-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.51
Rot. Bonds2

About [7-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol

[7-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol (PubChem CID 131986418) has the molecular formula C16H13FOS and a molecular weight of 272.34 g/mol. Its IUPAC name is [7-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol.

Molecular Properties

Compound Name[7-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol
PubChem CID131986418
Molecular FormulaC16H13FOS
Molecular Weight272.34 g/mol
Exact Mass272.07
IUPAC Name[7-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol
SMILESCc1ccccc1-c1csc2c(F)cc(CO)cc12
InChIInChI=1S/C16H13FOS/c1-10-4-2-3-5-12(10)14-9-19-16-13(14)6-11(8-18)7-15(16)17/h2-7,9,18H,8H2,1H3
InChIKeyQSXUBTIVDSZLSC-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol?
The IUPAC name of [7-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol (CID 131986418) is [7-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol.
What is the SMILES notation for [7-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol?
The canonical SMILES for [7-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol is Cc1ccccc1-c1csc2c(F)cc(CO)cc12.
What is the InChIKey of [7-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol?
The InChIKey is QSXUBTIVDSZLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FOS/c1-10-4-2-3-5-12(10)14-9-19-16-13(14)6-11(8-18)7-15(16)17/h2-7,9,18H,8H2,1H3.
What are the key properties of [7-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol?
[7-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol has a molecular weight of 272.34 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol is sourced from PubChem (CID 131986418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).