1-benzothiophen-2-yl-(2-fluorophenyl)methanol

C15H11FOS — CID 59281670

IUPAC1-benzothiophen-2-yl-(2-fluorophenyl)methanol
SMILESOC(c1cc2ccccc2s1)c1ccccc1F
InChIInChI=1S/C15H11FOS/c16-12-7-3-2-6-11(12)15(17)14-9-10-5-1-4-8-13(10)18-14/h1-9,15,17H
InChIKeyQBGZLLZOJTZHPV-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.12
Rot. Bonds2

About 1-benzothiophen-2-yl-(2-fluorophenyl)methanol

1-benzothiophen-2-yl-(2-fluorophenyl)methanol (PubChem CID 59281670) has the molecular formula C15H11FOS and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(2-fluorophenyl)methanol
PubChem CID59281670
Molecular FormulaC15H11FOS
Molecular Weight258.32 g/mol
Exact Mass258.05
IUPAC Name1-benzothiophen-2-yl-(2-fluorophenyl)methanol
SMILESOC(c1cc2ccccc2s1)c1ccccc1F
InChIInChI=1S/C15H11FOS/c16-12-7-3-2-6-11(12)15(17)14-9-10-5-1-4-8-13(10)18-14/h1-9,15,17H
InChIKeyQBGZLLZOJTZHPV-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(2-fluorophenyl)methanol?
The IUPAC name of 1-benzothiophen-2-yl-(2-fluorophenyl)methanol (CID 59281670) is 1-benzothiophen-2-yl-(2-fluorophenyl)methanol.
What is the SMILES notation for 1-benzothiophen-2-yl-(2-fluorophenyl)methanol?
The canonical SMILES for 1-benzothiophen-2-yl-(2-fluorophenyl)methanol is OC(c1cc2ccccc2s1)c1ccccc1F.
What is the InChIKey of 1-benzothiophen-2-yl-(2-fluorophenyl)methanol?
The InChIKey is QBGZLLZOJTZHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FOS/c16-12-7-3-2-6-11(12)15(17)14-9-10-5-1-4-8-13(10)18-14/h1-9,15,17H.
What are the key properties of 1-benzothiophen-2-yl-(2-fluorophenyl)methanol?
1-benzothiophen-2-yl-(2-fluorophenyl)methanol has a molecular weight of 258.32 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(2-fluorophenyl)methanol is sourced from PubChem (CID 59281670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).