1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone

C17H14O2S — CID 61406778

IUPAC1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cc2ccccc2s1
InChIInChI=1S/C17H14O2S/c1-11-7-8-14(19-2)13(9-11)17(18)16-10-12-5-3-4-6-15(12)20-16/h3-10H,1-2H3
InChIKeyDILOKMCDHOOFQT-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.45
Rot. Bonds3

About 1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone

1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone (PubChem CID 61406778) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone
PubChem CID61406778
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cc2ccccc2s1
InChIInChI=1S/C17H14O2S/c1-11-7-8-14(19-2)13(9-11)17(18)16-10-12-5-3-4-6-15(12)20-16/h3-10H,1-2H3
InChIKeyDILOKMCDHOOFQT-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1-benzothiophen-2-yl)methanone
CID 5330534
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 24673618
(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115957340
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583
(2-methoxy-4-methoxycarbonylphenyl) 1-benzothiophene-2-carboxylate
CID 27845824
1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763000
ethyl 2-[2-(1-benzothiophene-2-carbonyl)-4,5-diethoxyphenyl]acetate
CID 69459339
(4-cyano-2-methoxyphenyl) 1-benzothiophene-2-carboxylate
CID 27989963
1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone
CID 114976116
1-(1-benzothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800328

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone (CID 61406778) is 1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is DILOKMCDHOOFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c1-11-7-8-14(19-2)13(9-11)17(18)16-10-12-5-3-4-6-15(12)20-16/h3-10H,1-2H3.
What are the key properties of 1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone?
1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 282.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 61406778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).