2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone

C17H14O2S — CID 63739162

IUPAC2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)Cc2csc3ccccc23)c1
InChIInChI=1S/C17H14O2S/c1-19-14-6-4-5-12(9-14)16(18)10-13-11-20-17-8-3-2-7-15(13)17/h2-9,11H,10H2,1H3
InChIKeyWZLHZKGDAOZEGY-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.34
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone

2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone (PubChem CID 63739162) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone
PubChem CID63739162
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)Cc2csc3ccccc23)c1
InChIInChI=1S/C17H14O2S/c1-19-14-6-4-5-12(9-14)16(18)10-13-11-20-17-8-3-2-7-15(13)17/h2-9,11H,10H2,1H3
InChIKeyWZLHZKGDAOZEGY-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 81299144
2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone
CID 107502507
2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone
CID 81491388
3-(1-benzothiophen-3-ylmethoxy)benzoic acid
CID 63744516
2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone
CID 116595979
1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone
CID 116548203
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-fluorophenyl)ethanone
CID 63738642
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone
CID 14288885
1-(3-methoxyphenyl)-2-(1,3-thiazol-3-ium-2-yl)ethanone
CID 151263787
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
N-[2-[(2E)-2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-methoxybenzamide
CID 73332611

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone (CID 63739162) is 2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)Cc2csc3ccccc23)c1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone?
The InChIKey is WZLHZKGDAOZEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c1-19-14-6-4-5-12(9-14)16(18)10-13-11-20-17-8-3-2-7-15(13)17/h2-9,11H,10H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone?
2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone has a molecular weight of 282.36 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 63739162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).