2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol

C18H17FOS — CID 105120769

IUPAC2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
SMILESCc1cccc(C)c1CC(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C18H17FOS/c1-11-4-3-5-12(2)15(11)10-16(20)18-9-13-8-14(19)6-7-17(13)21-18/h3-9,16,20H,10H2,1-2H3
InChIKeyGFQNZVMWWLOGJR-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.93
Rot. Bonds3

About 2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol

2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol (PubChem CID 105120769) has the molecular formula C18H17FOS and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
PubChem CID105120769
Molecular FormulaC18H17FOS
Molecular Weight300.40 g/mol
Exact Mass300.10
IUPAC Name2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
SMILESCc1cccc(C)c1CC(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C18H17FOS/c1-11-4-3-5-12(2)15(11)10-16(20)18-9-13-8-14(19)6-7-17(13)21-18/h3-9,16,20H,10H2,1-2H3
InChIKeyGFQNZVMWWLOGJR-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105081086
1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
CID 105085760
2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105088041
2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105024539
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105107575
2-(5-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117121247
(5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol
CID 105078220
[1-(5-fluoro-1-benzothiophen-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285056
1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028329
2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 81105961
2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 107312501
1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 114980831

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol (CID 105120769) is 2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol is Cc1cccc(C)c1CC(O)c1cc2cc(F)ccc2s1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The InChIKey is GFQNZVMWWLOGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FOS/c1-11-4-3-5-12(2)15(11)10-16(20)18-9-13-8-14(19)6-7-17(13)21-18/h3-9,16,20H,10H2,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol has a molecular weight of 300.40 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 105120769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).