(4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

C17H17FOS — CID 65299563

IUPAC(4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2cc3c(s2)CCCC3)cc(C)c1F
InChIInChI=1S/C17H17FOS/c1-10-7-13(8-11(2)16(10)18)17(19)15-9-12-5-3-4-6-14(12)20-15/h7-9H,3-6H2,1-2H3
InChIKeyOIOGDOOUBDDUMQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.61
Rot. Bonds2

About (4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

(4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (PubChem CID 65299563) has the molecular formula C17H17FOS and a molecular weight of 288.39 g/mol. Its IUPAC name is (4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
PubChem CID65299563
Molecular FormulaC17H17FOS
Molecular Weight288.39 g/mol
Exact Mass288.10
IUPAC Name(4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2cc3c(s2)CCCC3)cc(C)c1F
InChIInChI=1S/C17H17FOS/c1-10-7-13(8-11(2)16(10)18)17(19)15-9-12-5-3-4-6-14(12)20-15/h7-9H,3-6H2,1-2H3
InChIKeyOIOGDOOUBDDUMQ-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43463390
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone
CID 43463038
5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone
CID 43462933
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(5-methyl-3-pyridinyl)methanone
CID 115791727
(2,6-difluorophenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 114972928
(3,4-dichlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43463780
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626590
(3-bromo-4-methoxyphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 43463349
1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrole-2-carboxylic acid
CID 43463488
(4-butylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43462715
(5-bromo-4-fluoro-2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 103394122

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The IUPAC name of (4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (CID 65299563) is (4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is Cc1cc(C(=O)c2cc3c(s2)CCCC3)cc(C)c1F.
What is the InChIKey of (4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The InChIKey is OIOGDOOUBDDUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FOS/c1-10-7-13(8-11(2)16(10)18)17(19)15-9-12-5-3-4-6-14(12)20-15/h7-9H,3-6H2,1-2H3.
What are the key properties of (4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
(4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 65299563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).