2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone

C17H14OS — CID 14288885

IUPAC2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone
SMILESCc1ccc2scc(CC(=O)c3ccccc3)c2c1
InChIInChI=1S/C17H14OS/c1-12-7-8-17-15(9-12)14(11-19-17)10-16(18)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3
InChIKeyXHKQZQVPMUDCEM-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.64
Rot. Bonds3

About 2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone

2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone (PubChem CID 14288885) has the molecular formula C17H14OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone
PubChem CID14288885
Molecular FormulaC17H14OS
Molecular Weight266.37 g/mol
Exact Mass266.08
IUPAC Name2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone
SMILESCc1ccc2scc(CC(=O)c3ccccc3)c2c1
InChIInChI=1S/C17H14OS/c1-12-7-8-17-15(9-12)14(11-19-17)10-16(18)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3
InChIKeyXHKQZQVPMUDCEM-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone
CID 107502507
2-(1-benzothiophen-3-yl)-1-(2-bromo-4-methylphenyl)ethanone
CID 114965658
2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone
CID 63739162
1-(4-amino-3-methylphenyl)-2-(1-benzothiophen-3-yl)ethanone
CID 116553925
5-methyl-3-(methylsulfonylmethyl)-1-benzothiophene
CID 117185057
1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone
CID 116548203
2-(5-methyl-1-benzothiophen-3-yl)acetonitrile
CID 738617
2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone
CID 81491388
2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid
CID 27808
3-(ethylsulfanylmethyl)-5-methyl-1-benzothiophene
CID 117185080
2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 105085054
2-(1-benzothiophen-3-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114965683

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone?
The IUPAC name of 2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone (CID 14288885) is 2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone.
What is the SMILES notation for 2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone?
The canonical SMILES for 2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone is Cc1ccc2scc(CC(=O)c3ccccc3)c2c1.
What is the InChIKey of 2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone?
The InChIKey is XHKQZQVPMUDCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14OS/c1-12-7-8-17-15(9-12)14(11-19-17)10-16(18)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3.
What are the key properties of 2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone?
2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone has a molecular weight of 266.37 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone is sourced from PubChem (CID 14288885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).