1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone

C16H11FOS — CID 113395873

IUPAC1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)c2csc3ccccc23)c1
InChIInChI=1S/C16H11FOS/c1-10-6-11(8-12(17)7-10)16(18)14-9-19-15-5-3-2-4-13(14)15/h2-9H,1H3
InChIKeyJXUKIRNZBKXXAV-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.58
Rot. Bonds2

About 1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone

1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone (PubChem CID 113395873) has the molecular formula C16H11FOS and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone
PubChem CID113395873
Molecular FormulaC16H11FOS
Molecular Weight270.33 g/mol
Exact Mass270.05
IUPAC Name1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)c2csc3ccccc23)c1
InChIInChI=1S/C16H11FOS/c1-10-6-11(8-12(17)7-10)16(18)14-9-19-15-5-3-2-4-13(14)15/h2-9H,1H3
InChIKeyJXUKIRNZBKXXAV-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone
CID 114023487
1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone
CID 107998244
(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 105118811
1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone
CID 43463414
1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone
CID 63841276
1-benzothiophen-3-yl-(2-bromophenyl)methanone
CID 43161888
N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide
CID 17173127
S-methyl 1-benzothiophene-3-carbothioate
CID 119090486
1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone
CID 112834071
1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone
CID 114964476
ethyl 1-benzothiophene-3-carboxylate
CID 898679
(5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone
CID 105118815

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone (CID 113395873) is 1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone is Cc1cc(F)cc(C(=O)c2csc3ccccc23)c1.
What is the InChIKey of 1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone?
The InChIKey is JXUKIRNZBKXXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FOS/c1-10-6-11(8-12(17)7-10)16(18)14-9-19-15-5-3-2-4-13(14)15/h2-9H,1H3.
What are the key properties of 1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone?
1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone has a molecular weight of 270.33 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 113395873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).