1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol

C15H19FO2S — CID 103028329

IUPAC1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H19FO2S/c1-15(2,18-3)7-6-12(17)14-9-10-8-11(16)4-5-13(10)19-14/h4-5,8-9,12,17H,6-7H2,1-3H3
InChIKeyIMKNYPJXSBVTCM-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.28
Rot. Bonds5

About 1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol

1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103028329) has the molecular formula C15H19FO2S and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103028329
Molecular FormulaC15H19FO2S
Molecular Weight282.38 g/mol
Exact Mass282.11
IUPAC Name1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H19FO2S/c1-15(2,18-3)7-6-12(17)14-9-10-8-11(16)4-5-13(10)19-14/h4-5,8-9,12,17H,6-7H2,1-3H3
InChIKeyIMKNYPJXSBVTCM-UHFFFAOYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
CID 105085760
1-(3-chloro-5-fluorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035286
2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105081086
2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105120769
1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103028030
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028130
4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol
CID 103028394
2-(5-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117121247
1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
CID 115819038
[1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine
CID 105337985
2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105088041
1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
CID 115783093

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol (CID 103028329) is 1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol is COC(C)(C)CCC(O)c1cc2cc(F)ccc2s1.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is IMKNYPJXSBVTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2S/c1-15(2,18-3)7-6-12(17)14-9-10-8-11(16)4-5-13(10)19-14/h4-5,8-9,12,17H,6-7H2,1-3H3.
What are the key properties of 1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol?
1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103028329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).