6-methoxy-3-(2-phenylethyl)-1-benzothiophene

C17H16OS — CID 22458950

IUPAC6-methoxy-3-(2-phenylethyl)-1-benzothiophene
SMILESCOc1ccc2c(CCc3ccccc3)csc2c1
InChIInChI=1S/C17H16OS/c1-18-15-9-10-16-14(12-19-17(16)11-15)8-7-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3
InChIKeyJEAVPZQWVJSQMQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.70
Rot. Bonds4

About 6-methoxy-3-(2-phenylethyl)-1-benzothiophene

6-methoxy-3-(2-phenylethyl)-1-benzothiophene (PubChem CID 22458950) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is 6-methoxy-3-(2-phenylethyl)-1-benzothiophene.

Molecular Properties

Compound Name6-methoxy-3-(2-phenylethyl)-1-benzothiophene
PubChem CID22458950
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC Name6-methoxy-3-(2-phenylethyl)-1-benzothiophene
SMILESCOc1ccc2c(CCc3ccccc3)csc2c1
InChIInChI=1S/C17H16OS/c1-18-15-9-10-16-14(12-19-17(16)11-15)8-7-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3
InChIKeyJEAVPZQWVJSQMQ-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-bis(2-phenylethyl)thieno[3,2-g][1]benzothiole
CID 132507618
5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole
CID 70796407
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 60704248
3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol
CID 44602870
N-(1-benzothiophen-3-ylmethyl)-4-methoxy-2-methylaniline
CID 62871686
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
3-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-benzothiophene
CID 63737043
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[2-(4-methoxyphenyl)ethyl]-1-benzothiophen-5-yl]oxane-3,4,5-triol
CID 58947999
ethyl 2-(6-methoxy-1-benzothiophen-3-yl)acetate;ethyl 4-(3-methoxyphenyl)sulfanyl-3-oxobutanoate
CID 159554035
1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 63738831

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(2-phenylethyl)-1-benzothiophene?
The IUPAC name of 6-methoxy-3-(2-phenylethyl)-1-benzothiophene (CID 22458950) is 6-methoxy-3-(2-phenylethyl)-1-benzothiophene.
What is the SMILES notation for 6-methoxy-3-(2-phenylethyl)-1-benzothiophene?
The canonical SMILES for 6-methoxy-3-(2-phenylethyl)-1-benzothiophene is COc1ccc2c(CCc3ccccc3)csc2c1.
What is the InChIKey of 6-methoxy-3-(2-phenylethyl)-1-benzothiophene?
The InChIKey is JEAVPZQWVJSQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS/c1-18-15-9-10-16-14(12-19-17(16)11-15)8-7-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3.
What are the key properties of 6-methoxy-3-(2-phenylethyl)-1-benzothiophene?
6-methoxy-3-(2-phenylethyl)-1-benzothiophene has a molecular weight of 268.38 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(2-phenylethyl)-1-benzothiophene is sourced from PubChem (CID 22458950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).