1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol

C17H15FOS — CID 114910959

IUPAC1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol
SMILESCc1cc(C(C)(O)c2cc3ccccc3s2)ccc1F
InChIInChI=1S/C17H15FOS/c1-11-9-13(7-8-14(11)18)17(2,19)16-10-12-5-3-4-6-15(12)20-16/h3-10,19H,1-2H3
InChIKeyJNWVIIAVBYYNRR-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.60
Rot. Bonds2

About 1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol

1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol (PubChem CID 114910959) has the molecular formula C17H15FOS and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol
PubChem CID114910959
Molecular FormulaC17H15FOS
Molecular Weight286.37 g/mol
Exact Mass286.08
IUPAC Name1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol
SMILESCc1cc(C(C)(O)c2cc3ccccc3s2)ccc1F
InChIInChI=1S/C17H15FOS/c1-11-9-13(7-8-14(11)18)17(2,19)16-10-12-5-3-4-6-15(12)20-16/h3-10,19H,1-2H3
InChIKeyJNWVIIAVBYYNRR-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol (CID 114910959) is 1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol is Cc1cc(C(C)(O)c2cc3ccccc3s2)ccc1F.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol?
The InChIKey is JNWVIIAVBYYNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FOS/c1-11-9-13(7-8-14(11)18)17(2,19)16-10-12-5-3-4-6-15(12)20-16/h3-10,19H,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol?
1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol has a molecular weight of 286.37 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol is sourced from PubChem (CID 114910959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).